2-溴氯苯

1-Bromo-2-chlorobenzene

HCID 12754CAS 28906-38-9

子结构检索查找相似结构

基本信息

标准SMILES: Clc1ccccc1Br
InChIKey: QBELEDRHMPMKHP-UHFFFAOYSA-N
分子式: C6H4BrCl
平均分子量: 191.45 g/mol
单同位素质量: 189.91848991

名称与标识

首选名称: 1-Bromo-2-chlorobenzene
IUPAC: 1-bromo-2-chlorobenzene
英文名: 2-Bromochlorobenzene
分子式: C6H4BrCl
分子量: 191.45296

名称与别名

1-Bromo-2-chlorobenzene2-BROMOCHLOROBENZENEo-BromochlorobenzeneBenzene, 1-bromo-2-chloro-UNII-PEC7Z3YX6PPEC7Z3YX6P2-chlorophenyl bromideEINECS 211-775-1NSC 59694NSC-59694O-BROMOPHENYL CHLORIDE2-BROMOPHENYL CHLORIDE

展开更多名称

AI3-31290DTXSID30870758RefChem:75064DTXCID70818452InChI=1/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4QBELEDRHMPMKHP-UHFFFAOYSA-N694-80-42-Chlorobromobenzene

数据库标识

CAS: 28906-38-9、694-80-4
PubChem CID: 12754
DTXSID: DTXSID30870758
UNII: PEC7Z3YX6P
EC Number: 211-775-1、249-303-1
Nikkaji: J91.317K

性质

结构计算性质

XLogP: 3.2
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 0
可旋转键: 0
重原子: 8
形式电荷: 0
复杂度: 74.9

实验与物化性质

SpringerMaterials PropertiesDensity

LogP3.83

物理化学性质

熔点: -12.3 °C · -12.3 °C
沸点: 204 °C · 204 °C
密度: 1.6444 g/cm3 · 1.6444 g/cm3(Temp: 20.4 °C)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.