CAS 335013-18-8 4-Bromo-1-(bromomethyl)-2-(trifluoromethyl)benzene (HCID 53418031)

基本情報

CAS: 335013-18-8
標準SMILES: FC(F)(F)c1cc(Br)ccc1CBr
InChIKey: KYIYLQNLZYNVQY-UHFFFAOYSA-N
分子式: C8H5Br2F3
平均分子量: 317.93 g/mol
単同位体質量: 315.87100902

名称と識別子

優先名称: 4-Bromo-1-(bromomethyl)-2-(trifluoromethyl)benzene
IUPAC: 4-bromo-1-(bromomethyl)-2-(trifluoromethyl)benzene
現地名: 4-ブロモ-1-(ブロモメチル)-2-(トリフルオロメチル)ベンゼン
英語名: 4-broMo-1-(broMoMethyl)-2-(trifluoroMethyl)benzene
分子式: C8H5Br2F3
分子量: 317.93

名称と別名

4-BROMO-1-(BROMOMETHYL)-2-(TRIFLUOROMETHYL)BENZENE335013-18-8DTXSID00697373RefChem:290448DTXCID406481224-bromo-2-(trifluoromethyl)benzyl bromideMFCD131854144-BROMO-2-TRIFLUOROMETHYLBENZYL BROMIDEC8H5Br2F3Benzene, 4-bromo-1-(bromomethyl)-2-(trifluoromethyl)-SCHEMBL195156CL87

名称をさらに表示

4-ブロモ-1-(ブロモメチル)-2-(トリフルオロメチル)ベンゼン4-Bromo-2-(trifluoromethyl)benzyl bromide 95%4-bromo-1-(bromomethyl)-2-(trifluoromethyl)benzene, 95%min

SCHEMBL29452391CL8722AKOS014097514AS-46087SY102756DB-3400634-bromo-1-bromomethyl-2-trifluoromethylbenzene4-Bromo-1-bromomethyl-2-trifluoromethyl-benzene

データベース識別子

CAS: 335013-18-8
PubChem CID: 53418031
DTXSID: DTXSID00697373
EC Number: 980-514-8
Nikkaji: J3.782.413E

物性

構造計算による物性

XLogP: 4.1
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 169

物理化学的性質

沸点: 239.4 · 239.4±35.0 °C(Predicted)
比重(密度): 1.885 · 1.885±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: liquid
色: Colorless

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.