1-Butyl-3-methylimidazolium Bromide

HCID 25153273CAS 85100-77-2

基本情報

標準SMILES: Br.CCCCN1C=CN(C)C1
InChIKey: OIWSIWZBQPTDKI-UHFFFAOYSA-N
分子式: C8H17BrN2
平均分子量: 221.14 g/mol
単同位体質量: 220.05751064

名称と識別子

優先名称: 1-Butyl-3-methylimidazolium Bromide
IUPAC: 1-butyl-3-methyl-2H-imidazole;hydrobromide

名称と別名

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)

データベース識別子

CAS: 85100-77-2
PubChem CID: 25153273
DTXSID: DTXSID5049362
ChEMBL: CHEMBL3186455
EC Number: 617-674-2

物性

構造計算による物性

極性表面積: 6.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 120

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (85.7%)