p-클로로벤조트리클로라이드

4-Chlorobenzotrichloride

HCID 21277CAS 5216-25-1

기본 정보

표준 SMILES
Clc1ccc(C(Cl)(Cl)Cl)cc1
InChIKey
LVZPKYYPPLUECL-UHFFFAOYSA-N
분자식
C7H4Cl4
평균 분자량
229.9 g/mol
단동위원소 질량
227.90671085

개요

p-a,a,a-Tetrachlorotoluene can cause cancer according to The Environmental Protection Agency (EPA).

이름 및 식별자

우선 이름
4-Chlorobenzotrichloride
IUPAC
1-chloro-4-(trichloromethyl)benzene
현지명
p-클로로벤조트리클로라이드
영어명
4-Chlorobenzotrichloride
분자식
C7H4Cl4
분자량
229.92

이름 및 동의어

4-CHLOROBENZOTRICHLORIDE5216-25-11-Chloro-4-(trichloromethyl)benzeneBenzene, 1-chloro-4-(trichloromethyl)-p-ChlorophenyltrichloromethaneDTXSID2027593alpha,alpha,alpha-Trichloro-4-chlorotoluene1UP9GJU33Sp,alpha,alpha,alpha-TetrachlorotolueneToluene, p,alpha,alpha,alpha-tetrachloro-DTXCID607593AAATCT
이름 더 보기
1-클로로-4-(트리클로로메틸)벤젠p-클로로벤질리덴트리클로라이드4-클로로벤조트리클로라이드p-클로로벤조트리클로라이드p-클로로벤조트라이클로라이드α,α,α,4-tetrachlorotoluenePCTCorobenzotrichLTetrachlorotoluene4-Chlorobenzotrichlo4-Chlorbenzotrichloridp-Chlorbenzotrichlorid4-chlorobenzotrichloridClotrimazole Impurity 5
4,alpha,alpha,alpha-TetrachlorotolueneRefChem:98556P-CHLORO-ALPHA,ALPHA,ALPHA-TRICHLOROTOLUENE226-009-1p-Chlorobenzotrichloridealpha,alpha,alpha,4-Tetrachlorotoluenep-TrichloromethylchlorobenzeneFluoxetine Impurity 12

데이터베이스 식별자

CAS
5216-25-1
PubChem CID
21277
DTXSID
DTXSID2027593
ChEMBL
CHEMBL2137820
UNII
1UP9GJU33S
EC Number
226-009-1
Nikkaji
J38.180B

물성

구조 계산 물성

XLogP
4.6
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
11

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesDensity
Boiling Point473 °F at 760 mmHg (NTP, 1992)
Vapor Pressure0.03 [mmHg]
Physical Description · 2건

Alpha, alpha, alpha, para-tetrachlorotoluene is a clear colorless liquid.

Colorless to yellow liquid; [MSDSonline]

물리화학적 성질

녹는점
5.8 °C · 5.8 °C
끓는 점
245 °C · 245 °C(lit.)
밀도
1.495 g/mL · 1.495 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.572(lit.)
인화점
230 °F · >230 °F
저장 조건
2 · Storage temp. 2-8°C

화학적 성질

p-Chlorobenzotrichloride, an organochloride, is a flammable, water-white liquid.

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H302+H312 (44.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 3건

Chemical: Benzene, 1-chloro-4-(trichloromethyl)-

Hazard Traits - Carcinogenicity

Status: Active Update: 26-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/2193

Other Safety InformationIMAP assessments - Benzene, 1-chloro-4-(trichloromethyl)-: Human health tier II assessment
DOT LabelCorrosive
Fire HazardsFlash point data for this compound are not available, however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: Corrosive; Lachrymator. (NTP, 1992)
Hazards Summary · 1건

Lachrymator; [CAMEO] A skin and respiratory tract irritant; [ESIS] An irritant; Harmful if skin contact or ingested; May cause chemical pneumonitis after inhalation of high concentrations; May cause cancer based on animal evidence; [MSDSonline]

안전 및 보호

Fire FightingTo extinguish a fire involving this chemical you may use a dry chemical, carbon dioxide, foam or halon extinguisher; a water spray may also be used. (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 you should 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 acetone 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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

독성 정보

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
Toxicity DataLC50 (rat) = 125 mg/m3
RAIS Toxicity Values · 6건

5e-05

SCREEN Current

6e-05

SCREEN Current

0.0006

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 6건

p-α,α,α-Tetrachlorotoluene

6 x 10^-5 mg/kg-day

6 x 10^-4 mg/kg-day

5 x 10^-5 mg/m^3

PDF Document

Likely to be carcinogenic to humans

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6건

4.30e-02

2.00e-01

1.70e-03

5.00e+00

5.7e-06

1.60e+01

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6건

4.30e+00

2.00e+01

1.70e-01

5.00e+00

1.60e+01

6e-05

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
XT8580000
ridadr
UN 1760 8/PG 2
독성
LD50 orl-rat: 820 mg/kg EPASR* 8EHQ-0281-0360
HS 번호
29039990

화학 및 산업

용도 및 제조

UsesIntermediate for pharmaceuticals, dyes, and other organic chemicals; [Hawley]
General Manufacturing InformationBenzene, 1-chloro-4-(trichloromethyl)-: ACTIVE

응용 분야

용도4-Chlorobenzotrichloride is a useful reactant in organic synthesis.

일반 설명Clear colorless liquid.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]

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9건

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