2-Chloro-3-(trifluoromethyl)benzoyl chloride

HCID 3827633CAS 850156-39-7

基本情報

標準SMILES: O=C(Cl)c1cccc(C(F)(F)F)c1Cl
InChIKey: PKEMXTIVOBWBNO-UHFFFAOYSA-N
分子式: C8H3Cl2F3O
平均分子量: 243.01 g/mol
単同位体質量: 241.95130474

名称と識別子

優先名称: 2-Chloro-3-(trifluoromethyl)benzoyl chloride
IUPAC: 2-chloro-3-(trifluoromethyl)benzoyl chloride
英語名: 2-CHLORO-3-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
分子式: C8H3Cl2F3O
分子量: 243.01

名称と別名

2-Chloro-3-(trifluoromethyl)benzoyl chloride850156-39-7DTXSID20396972RefChem:258515DTXCID50347831670-757-52-Chloro-3-(trifluoromethyl)benzoylchlorideMFCD041158302-Chloro-3-(chlorocarbonyl)benzotrifluorideBenzoyl chloride,2-chloro-3-(trifluoromethyl)-2-chloro-3-trifluoromethylbenzoyl chlorideBenzoyl chloride, 2-chloro-3-(trifluoromethyl)-

名称をさらに表示

2-chloro-3-(trifluoromethyl)benzoylchloride98%2-chloro-3-(trifluoromethyl)benzoyl chloride 98%SCHEMBL108509SKL1211SBB069734AKOS015917423PS-10732DB-056837

データベース識別子

CAS: 850156-39-7
PubChem CID: 3827633
DTXSID: DTXSID20396972
EC Number: 670-757-5

物性

構造計算による物性

XLogP: 3.9
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 229

物理化学的性質

沸点: 224 · 224
比重(密度): 1.506 · 1.506±0.06 g/cm3 (20 ºC 760 Torr)
闪点: 101.4 · 101.4±27.3℃
貯蔵温度: Keep Cold
外見: low-melting solid
色: White

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.