4-Chlorobenzotrichloride (HCID 21277)

概要

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

名称と識別子

優先名称: 4-Chlorobenzotrichloride
IUPAC: 1-chloro-4-(trichloromethyl)benzene
現地名: 4-クロロベンゾトリクロリド
英語名: 4-Chlorobenzotrichloride
分子式: C7H4Cl4
分子量: 229.92

名称と別名

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

名称をさらに表示

4-クロロベンゾトリクロリドα,α,α,4-テトラクロロトルエン4,α,α,α-テトラクロロトルエン1-クロロ-4-(トリクロロメチル)ベンゼン4-クロロ-1-(トリクロロメチル)ベンゼン1-(トリクロロメチル)-4-クロロベンゼンp-クロロベンゾトリクロリドｐ－（トリクロロメチル）クロロベンゼン4-クロロベンゾトリクロライド塩化物[[[p-(トリクロロメチル)クロロベンゼン（別名ｐ‐クロロベンゾトリクロリド）p-(トリクロロメチル)クロロベンゼン（別名ｐ‐クロロベンゾトリクロリド）P‐(トリクロロメチル)クロロベンゼン4‐クロロベンゾトリクロリド4-クロロベンゾトリクロライドα,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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.6
極性表面積: 0 Å²
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: 0
重原子数: 11
形式電荷: 0
複雑度: 121

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesDensity

Boiling Point473 °F at 760 mmHg (NTP, 1992)

Vapor Pressure0.03 [mmHg]

Physical Description · 2 件

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

Colorless to yellow liquid; [MSDSonline]

物理化学的性質

融点: 5.8 °C · 5.8 °C
沸点: 245 °C · 245 °C(lit.)
比重(密度): 1.495 g/mL · 1.495 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.572(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Storage temp. 2-8°C
溶解性: Chloroform (Sparingly), DMSO (Sparingly)
外見: clear liquid
色: Colorless to Light yellow
水溶解度: 分解する
BRN: 1866549 · 1866549
Henry's Law Constant: 5.1 · 5.1×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
安定性: 安定。可燃性。強力な酸化剤とは相容れない。
CAS データベース: 5216 · 5216-25-1(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-chloro-4-(trichloromethyl)-(5216-25-1)
EPAの化学物質情報: 4 · 4-Chlorobenzotrichloride (5216-25-1)

化学的性質

化学的特性p-Chlorobenzotrichloride, an organochloride, is a flammable, water-white liquid.

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 3 件

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 · 1 件

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]

安全と保護具

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 · 1 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.

Nonfire Spill Response · 1 件

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.

毒性情報

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

Toxicity DataLC50 (rat) = 125 mg/m3

RAIS Toxicity Values · 6 件

5e-05

SCREEN Current

6e-05

SCREEN Current

0.0006

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 6 件

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 · 6 件

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 · 6 件

4.30e+00

2.00e+01

1.70e-01

5.00e+00

1.60e+01

6e-05

安全データ

wgk: 3
tsca: TSCA listed
rtecs: XT8580000
ridadr: UN 1760 8/PG 2
毒性: LD50 orl-rat: 820 mg/kg EPASR* 8EHQ-0281-0360
hs_code: 29039990
risk_code: 45-21/22-37/38-48/23-62
化審法: (3)-89, (3)-93
安衛法: 変異原性物質
消防法: 危-4-3-III
hazard_code: T
safety_code: 53-45
hazard_class: 8
packing_group: II

化学と産業

用途と製造

UsesIntermediate for pharmaceuticals, dyes, and other organic chemicals; [Hawley]

General Manufacturing InformationBenzene, 1-chloro-4-(trichloromethyl)-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用4-Chlorobenzotrichloride is a useful reactant in organic synthesis.

一般的な説明Clear colorless liquid.

上流・下流製品情報

上流原料

4-クロロトルエン (1mg/mlメタノール溶液) [水質分析用]1-クロロ-3-(トリクロロメチル)ベンゼンアンチモンペンタクロリドベンゾトリクロリド 2-クロロベンゾトリクロリド

下流製品

4-クロロ-3-ニトロ安息香酸 5-[2-クロロ-4-(トリフルオロメチル)フェノキシ]-N-(メチルスルホニル)-2-ニトロベンズアミド 4-クロロベンゾトリフルオリド 4-クロロ-3-ニトロベンゾトリフルオリド

サプライヤー50 社

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]

4-クロロベンゾトリクロリド

基本情報

概要