2-溴-5-氯苯乙酮

1-(2-Bromo-5-chlorophenyl)ethanone

HCID 12486617CAS 935-99-9

子结构检索查找相似结构

基本信息

标准SMILES: CC(=O)c1cc(Cl)ccc1Br
InChIKey: BCQAWQMDMPBDBW-UHFFFAOYSA-N
分子式: C8H6BrClO
平均分子量: 233.49 g/mol
单同位素质量: 231.92905459

名称与标识

首选名称: 1-(2-Bromo-5-chlorophenyl)ethanone
IUPAC: 1-(2-bromo-5-chlorophenyl)ethanone
中文名: 2-溴-5-氯苯乙酮
英文名: 1-(2-bromo-5-chlorophenyl)ethanone
分子式: C8H6BrClO
分子量: 233.49

名称与别名

1-(2-BROMO-5-CHLOROPHENYL)ETHANONERefChem:421575695-065-0935-99-92'-BROMO-5'-CHLOROACETOPHENONEMFCD118470571-(2-bromo-5-chlorophenyl)ethan-1-oneSCHEMBL3121226DTXSID40500054AKOS015919676GS-3929CS-0031412

展开更多名称

2-溴-5-氯苯乙酮1-(2-溴-5-氯苯基)乙酮1-(2-Bromo-5-chlorophenyl)2’-Bromo-5’-chloroacetophenoneEthanone, 1-(2-bromo-5-chlorophenyl)-

EN300-19128782 inverted exclamAM806605A22436SCHEMBL29494150CL8884SY067370DB-362698

数据库标识

CAS: 935-99-9
PubChem CID: 12486617
DTXSID: DTXSID40500054
EC Number: 695-065-0

性质

结构计算性质

XLogP: 2.9
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 160

物理化学性质

沸点: 155 · 155-156 °C(Press: 15 Torr)
密度: 1.566 · 1.566±0.06 g/cm3(Predicted)
储存条件: Sealed in dry,Room Temperature
外观: Colorless to light yellow Liquid

安全与法规

GHS分类

GHS Classification · 4 条

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.