基本信息
- 标准SMILES
Br.CCCCN1C=CN(C)C1- InChIKey
OIWSIWZBQPTDKI-UHFFFAOYSA-N- 分子式
- C8H17BrN2
- 平均分子量
- 221.14 g/mol
- 单同位素质量
- 220.05751064
名称与标识
- 首选名称
- 1-Butyl-3-methylimidazolium Bromide
- IUPAC
- 1-butyl-3-methyl-2H-imidazole;hydrobromide
名称与别名
DTXSID5049362DTXCID2029321RefChem:75260617-674-21-Butyl-3-methylimidazolium Bromide85100-77-2SCHEMBL232598CHEMBL3186455Tox21_202797NCGC00260343-01CAS-85100-77-21-Butyl-3-methyl-2,3-dihydro-1H-imidazole--hydrogen bromide (1/1)
数据库标识
- CAS
85100-77-2- PubChem CID
- 25153273
- DTXSID
DTXSID5049362- ChEMBL
CHEMBL3186455- EC Number
- 617-674-2
性质
结构计算性质
- 极性表面积
- 6.5 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 3
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 120
安全与法规
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.
Warning
H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危害信息
Hazard Classes and CategoriesSkin Irrit. 2 (85.7%)
相关反应
0 条
当前筛选下没有反应记录。
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