CAS 657-64-7 2-Bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene (HCID 14949936)

基本情報

CAS: 657-64-7
標準SMILES: FC(F)(F)c1ccc(CBr)c(Br)c1
InChIKey: QXNLLMCGCALGBW-UHFFFAOYSA-N
分子式: C8H5Br2F3
平均分子量: 317.93 g/mol
単同位体質量: 315.87101

名称と識別子

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

名称と別名

657-64-72-BROMO-1-(BROMOMETHYL)-4-(TRIFLUOROMETHYL)BENZENE2-Bromo-4-(trifluoromethyl)benzyl bromideDTXSID50565937RefChem:466010DTXCID60516713816-205-0MFCD11847628SCHEMBL1992103Benzene, 2-bromo-1-(bromomethyl)-4-(trifluoromethyl)-SCHEMBL30030832CL9075

名称をさらに表示

2-ブロモ-1-(ブロモメチル)-4-(トリフルオロメチル)ベンゼン2-bromo-1-(bromethyl)-4-(trifluoromethyl)benzene

AKOS0273750472-bromo-4-trifluoromethylbenzyl bromideAS-46199SY258627DB-2513522-bromo-1-bromomethyl-4-trifluoromethyl-benzeneF334217

データベース識別子

CAS: 657-64-7
PubChem CID: 14949936
DTXSID: DTXSID50565937
EC Number: 816-205-0

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: 246.5 · 246.5±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: Clear, colourless

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.