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4-Chlorophenyl phenyl ether

HCID 23436
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
55398-86-2
표준 SMILES
Clc1ccc(Oc2ccccc2)cc1
InChIKey
PGPNJCAMHOJTEF-UHFFFAOYSA-N
분자식
C12H9ClO
평균 분자량
204.65 g/mol
단동위원소 질량
204.03419259

개요

4-chlorophenyl phenyl ether appears as liquid. Density 1.193 g / cm3. Insoluble or slightly soluble in water.

이름 및 식별자

우선 이름
4-Chlorophenyl phenyl ether
IUPAC
1-chloro-4-phenoxybenzene
영어명
1 -Chloro-4-phenoxybenzene
분자식
C12H9ClO
분자량
204.65226

이름 및 동의어

4-Chlorodiphenyl ether7005-72-34-Chlorophenyl phenyl etherBenzene, 1-chloro-4-phenoxy-p-Chlorodiphenyl oxideEther, p-chlorophenyl phenylP-CHLOROPHENYL PHENYL ETHERChlorodiphenyl etherMonochlorodiphenyl oxideDTXSID20524474-Monochlorodiphenyl oxide5AY689Y3GH
이름 더 보기
NSC-61839DTXCID4031019RefChem:985774-CDE230-281-71-Chloro-4-phenoxybenzeneMONOCHLOROPHENYL ETHER1-chloro-4-phenoxy-benzene

데이터베이스 식별자

CAS
55398-86-2、7005-72-3
PubChem CID
23436
DTXSID
DTXSID2052447
UNII
5AY689Y3GH
EC Number
230-281-7
Nikkaji
J45.879A

물성

구조 계산 물성

XLogP
4.3
극성 표면적
9.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
14
형식 전하
0
복잡도
158

실험 및 물리화학적 성질

Chemical Classes · 2건

Flammable agents - 2nd degree

Semi-Volatile Organic Compound (SVOC)

PolymersOther Classes -> Halogenated Polyaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogPlog Kow= 4.08
Density · 3건

1.2026 at 59 °F (NTP, 1992) - Denser than water; will sink

1.2026 @ 15 °C

1.2026 @15°C

Solubility3.3 mg/l @ 25 °C
Boiling Point · 2건

543 to 545 °F at 760 mmHg (NTP, 1992)

284-5 °C

Melting Point · 2건

-8 °C

-8 °C

Vapor Pressure · 3건

0.0027 [mmHg]

0.0027 torr @ 25 °C (calc)

0.0027 [mm Hg] @25 °C

Refractive IndexIndex of refraction: 1.599

안전 및 규제

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

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzene, 1-chloro-4-phenoxy-

Hazard Traits - Environmental tox

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Fire HazardsCombustible. (NTP, 1992)
Hazards SummaryMay form unstable pyrophoric peroxides on exposure to air; [CAMEO] See Hexachlorodiphenyloxide.
Reactive GroupEthers
Reactivity AlertsPeroxidizable Compound
Reactivity Profile4-CHLOROPHENYL PHENYL ETHER oxidizes readily in air to form unstable peroxides that may explode spontaneously [Bretherick, 1979 p.151-154, 164].
Air and Water ReactionsInsoluble or slightly soluble in water.
CERCLA Reportable Quantities · 1건

화학 및 산업

용도 및 제조

Uses · 2건

Used as dielectric fluid; [HSDB]

Dielectric fluid

Methods of ManufacturingSOME HALOGENATED DIPHENYL ETHERS CAN BE PREPARED BY DIRECT HALOGENATION OF DIPHENYL CATALYZED BY LEWIS ACIDS & BY DEAMINATION OF NITRO & AMINO SUBSTITUTED DIPHENYL ETHERS. /HALOGENATED DIPHENYL ETHERS/
General Manufacturing InformationBenzene, 1-chloro-4-phenoxy-: ACTIVE

공급사1 곳

厦门盈融达化工有限公司+86-0592-6210733 · [email protected]

관련 반응

10건
반응 기록 만들기
HRID 187821 반응식
HRID 187821반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 380583 반응식
HRID 380583반응물로uspto-grants-2001_10
HRID 687294 반응식
HRID 687294반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1220003 반응식
HRID 1220003반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1251473 반응식
HRID 1251473반응물로uspto-grants-2002_01
HRID 1531234 반응식
HRID 1531234반응물로uspto-grants-2001_03
HRID 1703435 반응식
HRID 1703435생성물로uspto-grants-1978_11
HRID 1764171 반응식
HRID 1764171반응물로uspto-grants-1978_09
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
Physical Description · 2건

4-chlorophenyl phenyl ether appears as liquid. Density 1.193 g / cm3. Insoluble or slightly soluble in water.

Liquid; [CAMEO] Colorless liquid; [MSDSonline]

물리화학적 성질

녹는점
-8 °C · -8 °C
끓는 점
5 · 5-284 °C
밀도
1.2026 g/cm3 · 1.2026 g/cm3(Temp: 15 °C)

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 5000 lb or 2270 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).

Clean Water Act RequirementsToxic pollutant designated pursuant to section 307(a)(1) of the Clean Water Act and is subject to effluent limitations. /Haloethers/
Hazard Classes and Categories · 2건

Acute Tox. 4 (50%)

Flammable agents - 2nd degree

State Drinking Water Guidelines(FL) FLORIDA 10 ug/l

안전 및 보호

Fire FightingA fire in your laboratory involving this chemical should be extinguished 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.

Cleanup Methods · 2건

TREATABILITY OF WASTEWATER POLLUTANTS, P-CHLOROPHENYL PHENYL ETHER, BY SOLVENT EXTRACTION IS DISCUSSED.

Adsorption capacities of activated carbon for /wastewater pollutants/: 4-chlorophenyl phenyl ether 111 mg/g. /From table/

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong 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.

Protective Action Criteria (PAC) · 6건

3.2 [mg/m3]

35 [mg/m3]

210 [mg/m3]

3.2 [mg/m3]

35 [mg/m3]

210 [mg/m3]

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.

독성 정보

Environmental Fate · 4건

TERRESTRIAL FATE: If released to soil, 4-chlorophenyl phenyl ether should be expected to undergo biodegradation(1,2,3). Based on the log octanol/water partition coefficient (Kow) for 4-chlorophenyl phenyl ether, and on the water solubility(1), Koc values can be calculated to fall in the range 2260-3950(4,SRC), suggesting slight mobility in soil(5,SRC). Consideration of the Henry's Law constant, 8.4X10-4 atm cu-m/mol(1), suggests that volatilization from moist soil might be an important fate process(SRC).

AQUATIC FATE: If released to water, 4-chlorophenyl phenyl ether should be expected to undergo biodegradation(1,2,3). 4-Chlorophenyl phenyl ether has an absorption maximum centered at 293 nm (in methanol)(5), and thus should undergo direct photochemical degradation in the upper layer of surface water(SRC). Based on laboratory rate constants obtained for 4-chlorophenyl phenyl ether in water, the calculated half-life in surface waters at 40 deg lattitude is 200 days (summer) and greater than 400 days (winter)(1). Based on the Henry's Law constant for 4-chlorophenyl phenyl ether, 8.4X10-4 atm cu-m/mol at 25 °C(1), volatilization from water should be an active fate process(SRC). The estimated volatilization half-life for a model river is 6 hours(6,SRC). The estimated volatilization from a model pond, which takes into account adsorption processes, is 39 days(7,SRC). 4-Chlorophenyl phenyl ether should not undergo hydrolysis, but should be expected to adsorb to sediment and suspended matter(SRC). An experimentally determined BCF for rainbow trout, 736(1), demonstrates that bioaccumulation in aquatic organisms can occur(SRC).

ATMOSPHERIC FATE: If released to the atmosphere, 4-chlorophenyl phenyl ether, which has a maximum UV absorption at 293 nm (in methanol)(1), would be expected to undergo direct photochemical degradation(1,SRC). The estimated half-life for the reaction with photochemically produced hydroxyl radicals in the atmosphere is 1.3 days(2,SRC).

AQUATIC FATE: It is not possible to determine the most probable aquatic fate for 4-chlorophenyl phenyl ether from available data. This pollutant is reported to be rapidly degraded by acclimated sewage sludge, but biodegradation data from river water die away experiments indicate that this cmpd has a potential for persistence in natural surface waters. Sorption by organic rich sediments & bioaccumulation in fish have been demonstrated. Although photolysis may make a minor contribution to the degradation of this pollutant near the air water surface, oxidation & hydrolysis are probably not important as fate processes. The role of volatilization is uncertain.

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.
Effluent ConcentrationsU.S. EPA Storet Data Base, 1,333 samples, 1.1% positive, median concn less than 10 ug/L(1). 4-Chlorophenyl phenyl ether was not detected in 86 samples from 51 stormwater catchments located throughout the USA (detection limits not given)(2).
Soil Adsorption/Mobility · 2건

Based on the log octanol/water partition coefficient (Kow) of 4.08, and the water solubility, 3.3 ppm at 25 °C(1), estimates for Koc are in the range 2260-3950 for 4-chlorophenyl phenyl ether(2,3,SRC), suggesting slight mobility in soil(4,SRC).

... The polar nature of the ether bond & the carbon-halogen bond, coupled with the cmpd's miscibility with most lipophilic material ensures sorption of 4-chlorophenyl phenyl ether by organic detritus. Adsorption by clay particles is also thought to be highly probable, inasmuch as the polarity & planar geometry of this molecule should facilitate its intercalation within the layered clay structure. Evidence for sorption by suspended organic material is given by a sediment to water distributional ratio of 4:1 during biodegradation studies with sludge.

Natural Pollution Sources4-Chlorophenyl phenyl ether is an anthropogenic compound, and is not known to exist in nature. (SRC)
Fish/Seafood Concentrations4-Chlorophenyl phenyl ether was not found in a wide variety of fish collected from fourteen Lake Michigan tributaries and embayments (detection limits not given)(1).
Artificial Pollution Sources · 1건

The 1977 TSCA inventory listed one company which produced 4-chlorophenyl phenyl ether. Production volume was listed as one hundred thousand to one million pounds(1). More current production volumes could not be found(SRC). 4-Chlorophenyl phenyl ether was developed in search of a dielectric fluid to replace PCB's, and finds use in capacitors(2), which may result in environmental release during production, use, or disposal(SRC).

Environmental Biodegradation · 3건

4-Chlorophenyl phenyl ether displayed a 62% theoretical biological oxygen demand in water (ten day test, conditions not given)(1). 4-Chlorophenyl phenyl ether was reported as undergoing 0% biodegradation in a five day test using settled domestic wastewater as an inoculum; biodegradation increased to 36% by the second subculture, and fell to 1% when using the third subculture(2,3). 4-Chlorophenyl phenyl ether was thus listed as being not significantly degraded under the conditions of the method, the lowest of a three tier rating system(3).

... The half-life of 4-chlorophenyl phenyl ether with respect to biodegradation in activated sludge is approx 4 hr.

Two water samples, taken from 2 different locations in the Tittabawassee River & spiked with the pollutant at a concn of 1 mg/l, showed 2 different rates of biodegradation. One sample exhibited no detectable degradation before 120 hr & the other, no degradation before 312 hr. Greater than 90% degradation required 264 hr in the first sample & 528 hr in the second. The experiments illustrated that biodegradation rate constants are not reproducible when microbial populations have a dissimilar history. In these 2 experiments the half-lives with respect to biodegradation would be rather meaningless since both samples exhibited lag periods (during which loss of the pollutant was undetectable) that were approx one-half of the time required for 90% degradation. Thus, it is reasonable to assume that genetic induction levels for most degradative organisms would not be reached except in the vicinity of discharge. In a non-stagnant body of surface water, a distinct microbial population would probably not be in contact with the pollutant long enough to become acclimated.

Sediment/Soil Concentrations · 1건

4-Chlorophenyl phenyl ether was not detected in sediment samples from the western basin of Lake Ontario, near the mouth of the Niagara River (detection limits not given)(1). U.S. EPA Storet Data Base, 344 samples, 0% positive, median concn less than 500 ug/L(2). A ratio for 4-chlorophenyl phenyl ether defined as the amount bound to suspended solids/sediment vs the amount in water was reported as 4:1(3).

Environmental BioconcentrationA BCF of 736 was experimentally determined for 4-chlorophenyl phenyl ether in rainbow trout (Salmo gairdneri) (8.9 day experiment)(1).
Volatilization from Water/Soil · 1건

An estimated evaporation rate constant for 4-chlorophenyl phenyl ether from Lake Michigan is given as 7.0 cm/hour(1). The estimated volatilization half-life for a model river 1 m deep, flowing at 1 m/sec, and a wind velocity of 3 m/sec is 5.7 hours(2,SRC). The estimated volatilization from a model pond, which takes into account adsorption processes, is 39 days(3,SRC).

Environmental Abiotic Degradation · 1건

The UV spectra of 4-chlorophenyl phenyl ether in methanol has a lambda max at 279 and at 293 nm, suggesting that direct photochemical degradation in the atmosphere and in the upper layer of surface water may be an important fate process(1,SRC). Based on laboratory rate constants obtained for 4-chlorophenyl phenyl ether in water, the calculated half-life in surface waters at 40 deg latitude is 200 days (summer) and greater than 400 days (winter)(1). 4-Chlorophenyl phenyl ether underwent 1.8% and 38% photoreaction in a degassed methanol solution using a rayonet photolysis apparatus after 8 and 88 hours, respectively(2). The estimated half-life for the atmospheric reaction with photochemically produced hydroxyl radicals is 1.3 days(3,SRC).

규제 정보

CERCLA Reportable Quantities · 1건

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 5000 lb or 2270 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).

Clean Water Act RequirementsToxic pollutant designated pursuant to section 307(a)(1) of the Clean Water Act and is subject to effluent limitations. /Haloethers/
State Drinking Water Guidelines(FL) FLORIDA 10 ug/l

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H319