Biphenyl

HCID 7095CAS 92-52-4

基本情報

標準SMILES
c1ccc(-c2ccccc2)cc1
InChIKey
ZUOUZKKEUPVFJK-UHFFFAOYSA-N
分子式
C12H10
平均分子量
154.21 g/mol
単同位体質量
154.07825032

概要

Biphenyl appears as a clear colorless liquid with a pleasant odor. Flash point 180 °F. Insoluble in water. Vapors are heavier than air. Used to manufacture other chemicals and as a fungicide.

名称と識別子

優先名称
Biphenyl
IUPAC
1,1'-biphenyl
現地名
ビフェニル
英語名
Biphenyl
分子式
C12H10
分子量
154.21

名称と別名

Biphenyl1,1'-Biphenyl92-52-4PhenylbenzeneDIPHENYLBibenzeneLemoneneXenene1,1'-DiphenylPhenador-XTetrosin LYCarolid AL
名称をさらに表示
ビフェニル[1,1'-ビフェニル]1,1'-ビフェニルフェニルベンゼンジフェニルビフェニル標準品ジフェニル (ビフェニル)ビフェニル(ジフェニル)ビフェニルジフェニルビフェニル (UNLABELED)ビフェニル (50ΜG/ML トルエン溶液)ビフェニル 溶液ビフェニル( ジフェニル)ビフェニル, Acetonitrile Tetrahydrofuran 50:50FEMA 3129BiphenylylDiphenyl MixtureBIPHENYL PESTANALcp390
PHPHFEMA No. 3129DTXSID40201612L9GJK6MGNMCS 1572CP 390E230NSC-14916

データベース識別子

CAS
92-52-4
PubChem CID
7095
DTXSID
DTXSID4020161
ChEMBL
CHEMBL1231413、CHEMBL14092
ChEBI
CHEBI:17097
UNII
2L9GJK6MGN
EC Number
202-163-5
Nikkaji
J3.929B

物性

構造計算による物性

XLogP
4
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
1
重原子数
12

実験および物理化学的性質

Chemical Classes · 3 件

Hazardous Air Pollutants (HAPs)

Other Classes -> Aromatic Hydrocarbons

Carcinogens

DrugsPharmaceuticals
PolymersPolycyclic aromatic hydrocarbon
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (Biphenyl) -> IFRA transparency List
Pesticides · 4 件

Pesticide -> EPA IRIS

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Not approved

Pesticide (Biphenyl) -> USDA PDB

物理化学的性質

融点
68 · 68-70 °C (lit.)
沸点
255 °C · 255 °C (lit.)
比重(密度)
0.992 · 0.992
蒸気密度
5.31 · 5.31 (vs air)
蒸気圧
9.46 mm · 9.46 mm Hg ( 115 °C)
屈折率
1.475 · 1.475
化学的性質 · 1 件

化学的特性1,1'-Biphenyl is a clear colorless liquid with a pleasant odor and stable organic compound. It is combustible at high temperatures, producing carbon dioxide and water when combustion is complete. Partial combustion produces carbon monoxide, smoke, soot, and low molecular weight hydrocarbons. It is used extensively in the production of heat-transfer fl uids, for example, as an intermediate for polychlorinated biphenyls, and dye carriers for textile dyeing. It is also used as a mold retardant in citrus fruit wrappers, in the formation of plastics, optical brighteners, and hydraulic fluids.

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.9% (11 of 1263) of reports.

Danger

H315 (99%): Causes skin irritation [Warning Skin corrosion/irritation]

危険有害性情報

Regulatory Information · 6 件

Chemical: 1,1'-Biphenyl

Hazard Traits - Hazard Trait Undefined

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1,1'-Biphenyl is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,1'-Biphenyl are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

2004/129/EC

Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14948

DOT LabelClass 9
Fire Hazards · 2 件

Combustible. Emits toxic fumes under fire conditions. (USCG, 1999)

Combustible. Finely dispersed particles form explosive mixtures in air.

Fire PotentialSlight when exposed to heat or flame; can react with oxidizing materials.
Health Hazards · 1 件

CALL FOR MEDICAL AID. VAPOR, MIST OR DUST: Irritating to eyes, nose, throat and skin. Flush affected area with plenty of water. IF IN EYES, hold eyelids open and flush with plenty of water. SOLID OR LIQUID: Irritating to skin and eyes, nose and throat. Remove contaminated clothing and shoes. Flush affected areas with plenty water. IF IN EYES, hold eyelids open and flush with plenty of water. If swallowed, do not induce vomiting. Harmful if inhaled or swallowed. Causes irritation to eyes, skin and mucous membrane and upper respiratory tract. Causes central nervous system depression, paralysis and convulsion in animals. May cause headache, diffuse gastrointestinal pain, nausea, indigestion, numbness and aching of limbs, and general fatigue. Liver function test may show abnormalities. Chronic exposure is mostly characterized by central nervous system symptoms, fatigue, headache, tremor, insomnia, sensory impairment, and mood changes. Such symptoms are rare however. (USCG, 1999)

Hazards Summary · 2 件

Biphenyl is used in organic syntheses, heat transfer fluids, dye carriers, food preservatives, as an intermediate for polychlorinated biphenyls, and as a fungistat in the packaging of citrus fruits. In workers, acute (short-term) exposure to high levels of biphenyl has been observed to cause eye and skin irritation and toxic effects on the liver, kidneys, and central and peripheral nervous systems. Kidney effects have been observed in chronically (long-term) exposed animals. EPA has classified biphenyl as a Group D, not classifiable as to human carcinogenicity.

After one worker died, studies in a Finnish paper mill showed air levels of 4.4 to 128 mg/m3 in 1959 and 0.6 to 123 mg/m3 in 1970. Nine case of poisoning were investigated and summarized as central and peripheral nerve damage and liver injury. [ACGIH] Causes convulsions and paralysis in high-dose animal studies; [CAMEO]

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Use water spray, foam, powder, carbon dioxide.

First Aid Measures · 4 件

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

Rinse with plenty of water for several minutes (remove contact lenses if easily possible).

Rinse mouth. Refer for medical attention .

First Aid · 2 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

(General first aid procedures)

Safe StorageSeparated from food and feedstuffs and oxidants. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.
Fire Fighting Procedures · 2 件

Carbon dioxide, dry chemical, water spray, mist, fog.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.

Storage Conditions · 1 件

Materials... toxic as stored or which can decompose into toxic components... should be stored in a cool... ventilated place, out of... sun, away from fire hazard... /and/ be periodically inspected. ...Incompatible materials should be isolated...

毒性情報

Body BurdenIn a study of 387 expired air samples from 54 normal, healthy, non-smoking urban U.S. subjects, biphenyl was detected in 28.7% of the samples at a mean concn of 0.032 ng/l(1).
Treatment · 1 件

Consider gastric lavage, after ingestion of a potentially life-threatening amount of poison if it can be performed soon after ingestion. In case of inhalation exposure, move patient to fresh air and monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. In case of eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. I f the exposure occurred through dermal contact, remove contaminated clothing and wash exposed area thoroughly with soap and water. (T36)

Cancer SitesHepatic
Interactions · 1 件

Coadministration of biphenyl and KHCO3 in the diet of male rats for 13 weeks produced urine crystals... composed of the potassium salt of 4-hydroxy-biphenyl-O-sulfate (4-HBPOSK). Biphenyl alone or biphenyl with KCl or NaHCO3 in the diet did not produce urine crystals.

Target Organs · 2 件

Urinary

Eyes, respiratory system, liver, central nervous system

Health Effects · 1 件

Exposure to diphenyl can cause necrosis in the liver and kidney, with regions of cirrhosis in liver; also, degenerative changes in heart muscle, damage to the central and peripheral nervous systems, as well as death can result from diphenyl poisoning (T48).

法規制情報

TSCA Requirements · 3 件

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Biphenyl is included on this list.

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329.

Substances and mixtures that have been the subjects of TSCA section 4 testing actions and for which the testing reimbursement period has terminated (sunset) include 1,1-biphenyl; sunset date: 3/15/1994.

FIFRA Requirements · 2 件

As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA, as amended in 1988, were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Biphenyl is found on List B. Case No: 2050; Pesticide type: Fungicide, antimicrobial; Case Status: No products containing the pesticide are actively registered ... The case /is characterized/ as "cancelled." Under FIFRA, pesticide producers may voluntarily cancel their registered products. EPA also may cancel pesticide registrations if registrants fail to pay required fees or make/meet certain reregistration commitments, or if EPA reaches findings of unreasonable adverse effects.; Active ingredient (AI): Biphenyl; AI Status: The active ingredient is no longer contained in any registered pesticide products ... "cancelled."

Tolerances are established for residues of the fungicide biphenyl (also known as diphenyl) from postharvest use on the following raw agricultural commodities: fruits, citrus (and hybrids thereof).

Atmospheric Standards · 2 件

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Biphenyl is produced, as an intermediate or a final product, by process units covered under this subpart.

Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Diphenyl is included on this list.

CERCLA Reportable Quantities · 1 件

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 100 lb or 45.4 kg. The toll free number of the NRC is (800) 424-8802; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

State Drinking Water Guidelines · 2 件

(MN) MINNESOTA 300 ug/l

(FL) FLORIDA 0.5 ug/l

安全データ

OEB
C
OEL
TWA: 1 mg/m3 (0.2 ppm)
wgk
2
IDLA
100 mg/m3
tsca
TSCA listed
rtecs
DU8050000

化学と産業

薬理情報

Mechanism of Action · 1 件

...The inhibition of state 3 respiration with succinate by biphenyl was less than that observed with alpha-ketoglutarate/malate. ...Biphenyl also instantaneously stimulated state 4 respiration. The extent of stimulation with succinate by biphenyl was larger than with alpha-ketoglutarate-malate. ...Biphenyl and KC-400 dissipated the membrane potential across the mitochondrial membranes. The dissipation of membrane potential by biphenyl was instantaneous... . Biphenyl and KC-400 altered the permeability properties of mitochondrial membranes as evidenced by the release of endogenous K+. The release of K+ due to biphenyl was instantaneous... .

Metabolism/Metabolites · 6 件

After rabbits ingested biphenyl... 64%... was accounted for in the urine primarily as the corresponding glucosiduronic acid and smaller amt of phenols and ether sulfates. From the urine, 4-hydroxybiphenyl, and 4-biphenyl glucosiduronic acid were isolated. ...Liver microsomal preparations from New Zealand White rabbits converted biphenyl into 2- and 4-hydroxybiphenyl. ...Other studies... /noted/ that the 4-isomer and practically no 2-isomer were found. ...The extent of 4-hydroxylation varies with species being poor in cat and trout high in mouse and coypus /(nutria)/. Ability to form 2-hydroxybiphenyl is almost absent in livers of adult rabbits and rats, guinea pigs, hens, trout and fox. Livers of mice, hamsters, cats, coypus, frogs, and young rabbits and rats form measurable amount of the 2-isomer ... .

Biphenyl ... was monohydroxylated by hamster-liver microsomes at positions 2 (minor) & 4; small quantities of 2,2'- & 4,4'-dihydroxybiphenyl were also tentatively identified.

It is metabolized in rat to 4-hydroxybiphenyl (30% of dose) & its glucuronide (20%), 4,4'- & 3,4-dihydroxybiphenyls (5% & 3% respectively) & 4-phenylphenylmercapturic acid (1.3%). Principal metabolite in rabbit, dog & mouse is also 4-hydroxybiphenyl, but mouse also excretes 2-hydroxybiphenyl in urine.

Phenobarbital type inducers increase 4-hydroxy biphenyl formation & 3-methylcholanthrene type inducers increase 2-hydroxy biphenyl formation.

For more Metabolism/Metabolites (Complete) data for BIPHENYL (15 total), please visit the HSDB record page.

Diphenyl is well absorbed through the gastrointestinal tract. It is rapidly metabolized to 4-hydroxybiphenyl, 4-phenyl-catechol and 4,4'-dihydroxyphenyl, which are excreted in urine and bile as glucuronide and mercapturic conjugates. The metabolites of diphenyl, mainly 4-hydroxybiphenyl, are excreted rapidly and almost exclusively in the urine. Acute oral toxicity is moderate. (T48, A588).

MeSH Pharmacological ClassificationChemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.
Absorption, Distribution and Excretion · 4 件

Diphenyl is absorbed through the skin, the mucous membranes, and pulmonary system. It is metabolized in the liver to water-soluble hydroxy derivatives. Diphenyl is excreted unchanged by the biliary system of the rat when stimulated with phenobarbital intraperitoneally at 70 mg/kg for 4 days.

(14)C-Biphenyl was orally administered to rats and urine was collected. After 96 hours 92% of the radioactivity had been excreted. Urinary excretion accounted for more than 84% of the administered label (75.8% within 24 hours) and fecal excretion for 7.3% (5.8% within 24 hours) of the radioactivity.

The biliary excretion of metabolites of biphenyl ... was shown ... to be increased by pre-treatment with hepatic-microsomal-enzyme inducers and to be decreased by enzyme inhibitors after dosing with parent compounds, but no effect was observed after dosing with metabolites.

In rats, rabbits, and pigs, most biphenyl metabolites are excreted in the urine. Following an oral dose of 100 mg (14C)biphenyl/kg body weight, rats excreted 82% of the administered radioactivity (76% in urine) within 24 h. The recovery rate after 4 days was 92%, with 7% of the administered radioactivity detected in the feces and traces in the exhaled air. Eight days after administration, radioactivity in the tissues was 0.6% of the applied dose. In none of the species examined was unmetabolized biphenyl found in the urine.

Cellular LocationsMembrane

用途と製造

Uses · 6 件

Biphenyl is used in organic syntheses, heat transfer fluids, dye carriers, food preservatives, as an intermediate for polychlorinated biphenyls, and as a fungistat in the packaging of citrus fruits.

Used as a heat transfer fluid, intermediate for organic chemicals, and fungicide; [ACGIH] Also used as a dye carrier and a mold retardant in food; Low levels present in creosote and coal tar; [CHEMINFO]

Pulp and Paper Processing [Category: Industry]

The active ingredient is no longer contained in any registered pesticide products ... "cancelled."

For diphenyl (USEPA/OPP Pesticide Code: 017002) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

INT FOR POLYCHLORINATED BIPHENYLS

ImpuritiesTerphenyls are byproducts in the production of biphenyl by dehydrocondensation of benzene; they are found in the high-boiling fraction of the pyrolysis products.
U.S. Production · 4 件

2023: 25,000,000 - <40,000,000 lb

1,1'-Biphenyl is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

(1988) No data provided

The 1990 figure is probably on the order of 16 million kg/yr.

Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
Methods of Manufacturing · 5 件

... By heating bromobenzene and sodium, with subsequent distillation. /As well as/ by slowly passing benzene through a red-hot iron tube

/Produced/ by passing benzene vapors over ferroso-ferric or lead oxide at high temp, in small quantities.

... Suppliers recover biphenyl from high boiler fractions that accompany the hydrodealkylation of toluene to benzene. Numerous hydrodealkylation processes have been developed. Most have the common feature that toluene or other alkylbenzene plus hydrogen is passed under pressure through a tubular reactor at high temperature. Methane and benzene are the principal products formed. Dealkylation conditions are sufficiently severe to cause some dehydrocondensation of benzene and toluene molecules. Approximately 1 kg of biphenyl per 100 kg of benzene is produced.

High purity biphenyl is currently produced ... by direct dehydrocondensation of benzene.

For more Methods of Manufacturing (Complete) data for BIPHENYL (7 total), please visit the HSDB record page.

応用分野 · 7 件

解説1,1′-biphenyl.C12H10(154.20).C6H5-C6H5.ジフェニルともいう.コールタール中に少量含まれるが,ベンゼンの蒸気を赤熱した鉄管中に通じれば生成する.また,ヨードベンゼン 2分子を銅粉を用いて,ウルマン反応により縮合させると得られる.結晶.融点71 ℃,沸点255 ℃.nD77"1.588.λmax 206,247 nm(log ε 4.52,4.26).エタノール,エーテルなどに可溶.熱的に安定で熱媒体として,また,かんきつ類の殺菌剤に用いられる.LD50 3280 mg/kg(ラット,経口).[CAS 92-52-4]森北出版「化学辞典(第2版)

用途熱媒体,染色助剤

説明Biphenyl, also called diphenyl, consists of two benzene rings joined by a single bond. It exists as colorless to yellowish crystals, has a distinctive odor, and occurs naturally in oil, natural gas, and coal tar.

天然物の起源Reported found in coal tar, bilberry, carrots, peas, potato, bell pepper, rum, cocoa, tomato, coffee, roasted peanuts, olive (Olea europae), buckwheat and tamarind (Tamarindus indica L).

使用Biphenyl is used as an antifungal agent to preserve citrus fruit, in citrus wrappers to retard mold growth, in heat transfer fluids, in dye carriers for textiles and copying paper, as a solvent in pharmaceutical production, in optical brighteners, and as an intermediate for the production of a wide range of organic compounds.

一般的な説明A clear colorless liquid with a pleasant odor. Flash point 180°F. Insoluble in water. Vapors are heavier than air. Used to manufacture other chemicals and as a fungicide.

使用用途ビフェニルの主な用途として、防カビ剤、合成樹脂、熱媒体およびその原料が挙げられます。 日本では防カビ剤としての使用が多く、特に柑橘類の防カビ目的でよく使用されていましたが、ビフェニルに対する耐性菌が発見されてからはあまり使用されていません。他の使用用途としては、過充電防止剤としてのに添加されることがあります。

調製方法 · 3 件

製造方法By thermal dehydrogenation of benzene.

合成方法図3. ウルマン反応 ビフェニルは様々な方法で合成することができます。知られている合成法のうち、一部を以下に紹介します。 ハロゲン化アリールと銅粉の加熱 (ウルマン反応) を赤熱した管に通す 臭化ベンゼンをベンゼン中で光分解 収率やコストの観点から、状況に応じて適切な合成法を選択することが重要です。

純化方法Crystallise biphenyl from EtOH, MeOH, aqueous MeOH, pet ether (b 40-60o) or glacial acetic acid. Free it from polar impurities by passage through an alumina column in *benzene, followed by evaporation. The residue has been purified by distillation in a vacuum and by zone refining. Treatment with maleic anhydride removes anthracene-like impurities. It has been recrystallised from EtOH followed by repeated vacuum sublimation and passage through a zone refiner. [Taliani & Bree J Phys Chem 88 2351 1984, Beilstein 5 H 576, 5 I 271, 5 II 479, 5 III 1726, 5 IV 1807.]

上流・下流製品情報

下流製品

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補足説明

定義ChEBI: A benzenoid aromatic compound that consists of two benzene rings connected by a single covalent bond. Biphenyl occurs naturally in coal tar, crude oil, and natural gas. Formerly used as a fungicide for citrus crops.

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