基本信息
- 标准SMILES
Brc1ccccc1Br- InChIKey
WQONPSCCEXUXTQ-UHFFFAOYSA-N- 分子式
- C6H4Br2
- 平均分子量
- 235.9 g/mol
- 单同位素质量
- 233.86797433
概述
1,2-dibromobenzene is a dibromobenzene.
名称与标识
- 首选名称
- 1,2-Dibromobenzene
- IUPAC
- 1,2-dibromobenzene
- 英文名
- dibromobenzene
- 分子式
- C6H4Br2
- 分子量
- 235.91
名称与别名
展开更多名称
数据库标识
- CAS
26249-12-7、583-53-9- PubChem CID
- 11414
- DTXSID
DTXSID0022064- ChEMBL
CHEMBL1797135- ChEBI
CHEBI:37152- UNII
- 52K9W7U6EH
- EC Number
- 209-507-3、247-544-7
- Nikkaji
- J1.633K
性质
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 0 Ų
- 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
- 62.9
实验与物化性质
Chemical Classes
Other Classes -> Halogenated Monoaromatics
Flammable agents - 2nd degree
Physical Description
Pale yellow liquid; Not miscible or difficult to mix in water; Melting point = 5-8 deg C; [MSDSonline]
Thick liquid with a pleasant odor; [CAMEO] Colorless liquid; [NJ-HSFS]
物理化学性质
- 熔点
- 27.25 °C · 27.25°C (estimate)
- 沸点
- 226.88 °C · 226.88°C (estimate)
- 密度
- 1.9127 · 1.9127 (rough estimate)
- 折射率
- 1.6018 · 1.6018 (estimate)
- EPA化学物质信息
- Dibromobenzene (26249-12-7)
安全与法规
GHS分类
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危害信息
Regulatory Information
1,2-Dibromobenzene: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards Summary
An irritant; [MSDSonline] See Bromobenzene. See o-Dichlorobenzene.
Highly flammable; [CAMEO] A skin and eye irritant; Inhalation may cause nose and throat irritation; [NJ-HSFS] See Bromobenzene. See Dichlorobenzene, mixed isomers.
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Flammable agents - 2nd degree
毒理信息
Adverse Effects
Neurotoxin - Acute solvent syndrome
Neurotoxin - Acute solvent syndrome
安全数据
- tsca
- TSCA listed
- 包装类别
- III
- 危险等级
- 3.2
- 危险品运输编号
- 1993
毒性防护
急性毒性腹注-小鼠 LD50: 780 毫克/公斤
包装储运
可燃性危险特性易燃; 高热放出有毒溴化物气体
储运特性库房通风低温干燥; 与氧化剂分开储运
灭火剂干粉, 二氧化碳, 砂土, 泡沫
化学与工业
用途与制造
General Manufacturing Information
Benzene, 1,2-dibromo-: ACTIVE
Benzene, dibromo-: ACTIVE
供应商50 家
相关反应
关联笔记
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