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1,2,3,5-Tetrachlorobenzene

HCID 12468
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
634-90-2
표준 SMILES
Clc1cc(Cl)c(Cl)c(Cl)c1
InChIKey
QZYNWJQFTJXIRN-UHFFFAOYSA-N
분자식
C6H2Cl4
평균 분자량
215.9 g/mol
단동위원소 질량
213.891061

개요

1,2,3,5-tetrachlorobenzene appears as white crystals or off-white solid. (NTP, 1992)

이름 및 식별자

우선 이름
1,2,3,5-Tetrachlorobenzene
IUPAC
1,2,3,5-tetrachlorobenzene
영어명
1,2,3,5-Tetrachlorobenzene
분자식
C6H2Cl4
분자량
215.89

이름 및 동의어

1,2,3,5-TETRACHLOROBENZENE634-90-2Benzene, 1,2,3,5-tetrachloro-DTXSID1026089I27N186CINNSC-78934DTXCID606089CHEBI:366961,2,4,6-TETRACHLOROBENZENERefChem:71345211-217-7MFCD00000543
이름 더 보기
1,2,3,5-tcb1,2,3,5-Tetrachlorob1,3,4,5-Tetrachlorbenzol,2,3,5-TETRACHLOROBENZENENicotinamide Impurity 249tetrachloro1,2,3,5-benzene1,2,3,5-tetrachloro-benzen
63697-21-2CCRIS 5936HSDB 4269EINECS 211-217-71,3,4,5-TETRACHLOROBENZENENSC 78934BRN 1618864UNII-I27N186CIN

데이터베이스 식별자

CAS
634-90-2、63697-21-2
PubChem CID
12468
DTXSID
DTXSID1026089
ChEMBL
CHEMBL44011
ChEBI
CHEBI:36696
UNII
I27N186CIN
EC Number
211-217-7
Nikkaji
J532K

물성

구조 계산 물성

XLogP
4.7
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
10
형식 전하
0
복잡도
104

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP · 2건

log Kow= 4.66

4.68

Color/FormColorless needles
Solubility · 3건

less than 0.1 mg/mL at 67.1 °F (NTP, 1992)

SOL IN HOT WATER, ETHER, BENZENE; SLIGHTLY SOL IN ALCOHOL; VERY SOL IN CARBON DISULFIDE, PETROLEUM ETHER

In water, 5.1 mg/l at 25 °C.

Flash Point · 2건

greater than 235 °F (NTP, 1992)

Flash point > 113 °C

Boiling Point · 2건

475 °F at 760 mmHg (NTP, 1992)

246 °C

DecompositionWhen heated to decomposition it emits toxic fumes of /hydrogen chloride/.
Melting Point · 2건

122 to 126 °F (NTP, 1992)

51 °C

Vapor Pressure · 3건

1 mmHg at 136.8 °F ; 5 mmHg at 192 °F; 760 mmHg at 475 °F (NTP, 1992)

0.07 [mmHg]

0.073 mm Hg at 25 °C

Henry's Law ConstantHenry's Law constant= 1.6X10-3 atm-cu m/mol at 25 °C
Physical Description · 2건

1,2,3,5-tetrachlorobenzene appears as white crystals or off-white solid. (NTP, 1992)

Colorless solid; [HSDB] White or off-white solid; [CAMEO]

물리화학적 성질

녹는점
54.5 °C · 54.5°C
끓는 점
246 °C · 246°C
밀도
1.5578 · 1.5578 (estimate)
증기압
0.07 at · 0.07 at 25 °C (extrapolated, Mackay et al., 1982)
굴절률
1.5348 · 1.5348 (estimate)
인화점
113 °C · 113 °C
저장 조건
4 °C · APPROX 4°C
용해도
알코올, 벤젠, 에테르 및 리그로인에 용해됨(Weast, 1986)
색상
흰색에서 거의 흰색
수용성
4.016 mg/L · 4.016mg/L(25℃)
BRN
1618864 · 1618864
Henry's Law Constant
58 at · 58.0 at 25 °C (gas stripping-GC, Shiu and Mackay, 1997)
주요 응용
농업환경
InChI
1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey
QZYNWJQFTJXIRN-UHFFFAOYSA-N
SMILES
Clc1cc(Cl)c(Cl)c(Cl)c1
NIST
1 · Benzene, 1,2,3,5-tetrachloro-(634-90-2)
EPA
1 · 1,2,3,5-Tetrachlorobenzene (634-90-2)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

유해성 정보

Regulatory InformationChemical: Benzene, 1,2,3,5-tetrachloro-
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound may cause irritation on contact. (NTP, 1992)
Hazards Summary · 1건

A decrease in the number of fetuses was the only significant effect observed at the highest dose level (200 mg/kg) in a study with pregnant rats (no teratogenic effects or histopathological changes in mothers or fetuses); Caused histological changes to liver and kidney in 13 week feeding study with rats; Effects in two month feeding study include altered liver function, prothrombin index, blood cholesterol, and adrenal hypertrophy; [HSDB] May cause irritation to skin, eyes, nose, throat, and respiratory tract; Long term exposure may cause kidney and liver injury; [CHEMINFO] Effects to the liver in short term gavage studies with rats include porphyria, enlargement, and focal necrosis; Histopathological changes observed to kidney and liver in 90 day feeding study with rats; [INCHEM]

Reactive GroupAryl Halides
Special Reports · 2건

USEPA; Ambient Water Quality Criteria Doc: Chlorinated Benzenes (1980) EPA 440/5-80-028

USEPA; Health Assessment Document: Chlorinated Benzenes (1985) EPA-600/8-84-015

TSCA Requirements · 1건

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. 1,2,3,5-Tetrachlorobenzene is included on this list.

Reactivity Profile · 1건

Simple aromatic halogenated organic compounds, such as 1,2,3,5-TETRACHLOROBENZENE, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. This chemical may react with oxidizers. (NTP, 1992).

Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories · 2건

Acute Tox. 4 (97.7%)

Hazardous to the aquatic environment (Acute) - Category 1

Hazardous Reactivities and IncompatibilitiesIN MFR OF SODIUM SALT OF TRICHLOROPHENOL, SODIUM HYDROXIDE, METHYL ALCOHOL & TETRACHLOROBENZENE WERE HEATED. DURING HEATING PROCESS, PRESSURE SUDDENLY INCR RAPIDLY & EXPLOSION OCCURRED. /TETRACHLORBENZENE/

안전 및 보호

Fire FightingFires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

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.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Body Burden · 1건

1,2,3,5-Tetrachlorobenzene has been detected in 13 of 108 samples of human adipose tissue at a mean concn of 30 ng/g(1). Combined trichlorobenzene and tetrachlorobenzene isomers were detected in human adipose tissue in Slovenia at a concn of 60 ng/g and in human hair samples at 40 ng/g(2). 1,2,3,5-Tetrachlorobenzene was identified, not quantified, in the adipose tissue of non-occupationally exposed individuals in Germany(3). 1,2,3,5-Tetrachlorobenzene was detected at an avg concn in human blood of 5.1 ng/g and adipose tissue at 0.41 ng/g(4).

Interactions · 1건

Since TeCB's can increase cytochrome p450 levels, ... it appears to induce metabolic enzymes. /This/ induction of microsomal enzyme activity has been shown to enhance the metabolism of a wide variety of drugs, pesticides and other xenobiotics. Exposure to TeCB could therefore result in decreased pharmacologic and/or toxicologic activity of numerous compounds. /In the event/ that chemical agents are metabolized to more active or toxic reactive intermediates ... exposure to TeCB would result in enhanced activity and/or toxicity of these agents. /Tetrachlorobenzenes/

Ecotoxicity Values · 2건

LC50 Bluegill sunfish 57.8 mg/l/24 hr; 11.5 mg/l/48hr; 6.42 mg/l/96hr.

LC50 Sheepshead Minnow > 7.5 mg/l/24 hr; 5.59 mg/l/48hr; 3.67 mg/l/96hr.

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a recommended classification scheme(1), and log Koc values in the range of 3.2-4.2(2,3), 1,2,3,5-tetrachlorobenzene is expected to have low mobility in soil(SRC). Volatilization of 1,2,3,5-tetrachlorobenzene is expected from moist soil surfaces given its Henry's Law constant of 1.6X10-3 atm-cu m/mole at 25 °C(4), but adsorption may attenuate this process(SRC). Volatilization of 1,2,3,5-tetrachlorobenzene from dry soil surfaces is not expected(SRC) based on a vapor pressure of 0.07 mm Hg at 25 °C(4). A half-life of 45 days in sewage sludge amended soil suggests that biodegradation of 1,2,3,5-tetrachlorobenzene will be slow(5).

AQUATIC FATE: Based on a recommended classification scheme(1), and a log Koc value of 3.9(2) measured in sediment, 1,2,3,5-tetrachlorobenzene is expected to adsorb to suspended solids and sediment in water(SRC). 1,2,3,5-Tetrachlorobenzene is expected to volatilize from water surfaces(3,SRC) given its Henry's Law constant of 1.6X10-3 atm-cu m/mole at 25 °C(4), but adsorption may attenuate this process(SRC). Estimated volatilization half-lives for a model river and model lake are 5 and 150 hours, respectively when neglecting adsorption(3,SRC). The volatilization half-life from a model pond is 36 days when adsorption is considered(5). According to a classification scheme(6), BCF values in the range of 1,300 to 3,600 measured in fish(7-9), suggest that bioconcentration in aquatic organisms is high(SRC). A half-life of 19 days in an acclimated anaerobic sediment slurry suggests that biodegradation of 1,2,3,5-tetrachlorobenzene will be slow(10). When irradiated with light greater than 285 nm, this compound was degraded 66 percent in 40 hrs in a water solution(11), suggesting that photolysis in surface waters may be important(SRC).

규제 정보

TSCA Requirements · 1건

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. 1,2,3,5-Tetrachlorobenzene is included on this list.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
DB9445000
ridadr
UN 1230 3/PG 2
독성
Acute oral LD50 for rats 1,727 mg/kg (quoted, RTECS, 1985).
HS 번호
2903.99.8001
risk_code
22-39/23/24/25-23/24/25-11
hazard_code
Xn,T,F
safety_code
22-24/25-45-36/37-16-7
Hazard Classifications
Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
634-90-2(Hazardous Substances Data)

화학 및 산업

약리 정보

Metabolism/Metabolites · 5건

1,2,3,5-TETRACHLOROBENZENE WAS IDENTIFIED AS METABOLITE OF PENTACHLOROPHENOL.

CANTHATCH WHEAT SEEDS WERE TREATED WITH LINDANE-(14)C (480 PPM) & PLANTED, TOTAL (14)C RESIDUES WERE DETERMINED IN 19-DAY-OLD SEEDLINGS, 1,2,3,5-TETRACHLOROBENZENE WAS IDENTIFIED IN ROOT SAMPLES.

YIELDS 2,3,4,6-TETRACHLOROPHENOL IN RABBIT. /FROM TABLE/

Lindane administered to hen pheasants resulted in tetrachlorobenzene being identified ... as part of the array of metabolites found in eggs and chicks as well as in the body tissues of hens. /Tetrachlorobenzenes/

For more Metabolism/Metabolites (Complete) data for 1,2,3,5-TETRACHLOROBENZENE (7 total), please visit the HSDB record page.

Absorption, Distribution and Excretion · 1건

Three tetrachlorobenzene (TCB) congeners (1,2,3,4- 1,2,3,5- and 1,2,4,5-Tetrachlorobenzene were administered daily by gavage to pregnant Sprague-Dawley rats at levels of 50, 100, or 200 mg/kg from day 6-15 of gestation. Residues of all three congeners were found in maternal and fetal tissues but generally the amounts of the 1,2,4,5- isomer were about 100 times higher than the other two.

용도 및 제조

Uses · 5건

Used as an intermediate for herbicides and defoliants; as an insecticide; as an impregnant for moisture resistance; for electrical insulation; for temporary protection in packing; Not commercially produced in the US; [HSDB] Used for electrical insulating fluids in transformers; A break-down product of the pesticide Lindane; [CHEMINFO]

Farming (Pesticides) [Category: Industry]

RESEARCH CHEMICAL

INTERMEDIATE FOR HERBICIDES & DEFOLIANTS; INSECTICIDE; IMPREGNANT FOR MOISTURE RESISTANCE; ELECTRICAL INSULATION

TEMPORARY PROTECTION IN PACKING

U.S. Production · 2건

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

Methods of Manufacturing · 2건

PRODUCED AS BY-PRODUCT IN MFR OF 1,2,4,5-TETRACHLOROBENZENE BY CHLORINATION OF 1,2,4-TRICHLOROBENZENE OVER ALUMINUM AMALGAM; CHLORINATION OF 1,3,5-TRICHLOROBENZENE OVER ALUMINUM AMALGAM

Obtained by chlorination of 1,3,5-trichlorobenzene

General Manufacturing InformationBenzene, 1,2,3,5-tetrachloro-: ACTIVE

응용 분야

일반 설명White crystals or off-white solid.

상·하류 제품 정보

상류 원료

Cyclohexene, 1,2,3,4,5,6-hexachloro-, (3alpha,4beta,5beta,6alpha)-Cyclohexene, 1,2,3,4,5,6-hexachloro-1,2,3,4-Tetrachlorobenzene1-브로모-2,4,6-트리클로로메탄2,4,6-트리클로로페닐히드라진2,2',4,4',6,6'-HEXACHLOROBIPHENYL메틸알콜말론산 디메틸2,4,6-트라이클로로아닐린1,3,5-트리클로로벤젠

하류 제품

2,4,5-트리클로로페놀1,2,4,5-사염화벤젠

공급사68 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
成都梓永智研生物科技有限公司17780686372 · [email protected]

추가 설명

정의ChEBI: A tetrachlorobenzene carrying chloro groups at positions 1, 2, 3 and 5.

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,2,3,5-tetrachlorobenzene, which has a vapor pressure of 0.07 mm Hg at 25 °C(2), is expected to exist in the vapor phase in the ambient atmosphere. Vapor-phase 1,2,3,5-tetrachlorobenzene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 80 days(SRC) from its estimated rate constant of 2.0X10-13 cu cm/molecule-sec at 25 °C(3).

Food Survey Values · 1건

1,2,3,5-Tetrachlorobenzene was detected in carrots (0.0297 ug/kg (peel)) and potatoes (0.0216 ug/kg (peel)) sampled in the UK(1). Combined 1,2,3,5- and 1,2,4,5-tetrachlorobenzene isomers were detected in the following oils: corn (0.04 mg/kg), rape (0.005 mg/kg), sunflower (0.001 mg/kg), peanut (0.001 mg/kg), sesame (0.005 mg/kg) walnut (0.005 mg/kg), hazelnut (0.01 mg/kg) and poppy (0.005 mg/kg)(2).

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Milk Concentrations1,2,3,5-Tetrachlorobenzene was detected in human milk in Canada at 0.03 ng/g (whole milk) and 0.92 ng/g (milk fat)(1).
Average Daily IntakeThe World Health Organization (WHO) estimates the AVDI of all tetrachlorobenzene isomers for humans is less than 0.1 ng/kg body weight(1).
Plant ConcentrationsCombined isomers of tri- and tetrachlorobenzene were detected in pine needles at concns of 3-30 ng/g and grass at 15 ng/g(1).
Animal Concentrations · 1건

Combined 1,2,3,5- and 1,2,4,5-tetrachlorobenzene isomers were detected in herring gull eggs from the Detroit River at mean concns of 0.01-0.45 ppm(1). Combined 1,2,3,5- and 1,2,4,5-tetrachlorobenzene isomers were detected in herring gull eggs near Lake Huron at median concns of 0.5-201 ng/g(2) and near Lake Superior at concns of 0.004-0.01 ug/g(3). Combined 1,2,3,5- and 1,2,4,5-tetrachlorobenzene isomers were detected in eggs of terns (0.002 and 0.005 mg/kg), double-crested cormorant (0.003 mg/kg) and black-crowned night herons (0.005 and 0.002 mg/kg)(4).

Effluent Concentrations · 1건

Combined tetrachlorobenzene isomers were detected at concns of 38-1,800,000 ng/cu m in the effluent of a waste gasification and combustion pilot plant(1) and detected at concns of 74.7 and 48 ng/cu m in the effluent of a hazardous waste incinerator in Biebesheim, Germany(2). 1,2,3,5-Tetrachlorobenzene was identified, not quantified, in the effluent from a coal-fired power plant(3). 1,2,3,5-Tetrachlorobenzene was detected at a concn of 0.3 ug/cu m in the effluent of a hazardous waste incinerator in Germany(4). Combined tetrachlorobenzene isomers were detected at concns of 0.01-0.11 ug/l in the effluent of 2 Dow Chemical plants near the St. Claire River, Canada(5). 1,2,3,5-Tetrachlorobenzene was identified, not quantified, in pulp mill effluents in Canada(6). Combined tetrachlorobenzene isomers were detected at concns of 29 and 57 ug/cu m in the effluent of municipal refuse incinerators located in Virginia and Ohio, respectively(7).

Soil Adsorption/Mobility · 1건

Log Koc values of 4.2(1) and 3.2(2) were reported for 1,2,3,5-tetrachlorobenzene. A log Koc value of 3.9 was measured for 1,2,3,5-tetrachlorobenzene in sediment obtained from Ise Bay, Japan(3) According to a recommended classification scheme(4), these Koc values suggest that 1,2,3,5-tetrachlorobenzene has low mobility in soil(SRC).

上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
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山东西亚化学有限公司13355009207 13355009207 · [email protected]
广东大小化工有限公司171603 18666171603 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
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