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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 121
실험 및 물리화학적 성질
Physical Description
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
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨)
- 물리적 상태
- 투명한 액체
- 색상
- 무색~연황색
- 수용성
- 물에서 분해되다
- BRN
- 1866549 · 1866549
- Henry's Law Constant
- 5.1 · 5.1×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- NIST
- 1 · Benzene, 1-chloro-4-(trichloromethyl)-(5216-25-1)
- EPA
- 4 · 4-Chlorobenzotrichloride (5216-25-1)
화학적 성질
p-Chlorobenzotrichloride, an organochloride, is a flammable, water-white liquid.
안전 및 규제
GHS 분류
GHS Classification
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
Chemical: Benzene, 1-chloro-4-(trichloromethyl)-
Hazard Traits - Carcinogenicity
Status: Active Update: 26-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/2193
Hazards Summary
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]
Reactivity Profile
Simple aromatic halogenated organic compounds, such as ALPHA, ALPHA, ALPHA, PARA-TETRACHLOROTOLUENE, 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.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 4
Acute toxicity (Oral) - Category 4
Carc. 1B
안전 및 보호
First Aid
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
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.
독성 정보
RAIS Toxicity Values
5e-05
SCREEN Current
6e-05
SCREEN Current
0.0006
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
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
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
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
- risk_code
- 45-21/22-37/38-48/23-62
- hazard_code
- T
- safety_code
- 53-45
- 포장분류
- II
- 위험 등급
- 8
화학 및 산업
용도 및 제조
응용 분야
용도4-Chlorobenzotrichloride is a useful reactant in organic synthesis.
일반 설명Clear colorless liquid.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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