3-Butyn-2-ol, 4-bromo-2-methyl-

HCID 200427CAS 2063-19-6

基本情報

標準SMILES: CC(C)(O)C#CBr
InChIKey: PCIPCEOKFBAUNM-UHFFFAOYSA-N
分子式: C5H7BrO
平均分子量: 163.01 g/mol
単同位体質量: 161.96802694

名称と識別子

優先名称: 3-Butyn-2-ol, 4-bromo-2-methyl-
IUPAC: 4-bromo-2-methylbut-3-yn-2-ol

名称と別名

4-Bromo-2-methyl-3-butyn-2-ol3-Butyn-2-ol, 4-bromo-2-methyl-BRN 1523732Dimethyl(beta-bromoethynyl)carbinolDimethyl-bromaethenyl-carbinolDimethyl-bromaethenyl-carbinol [German]DTXSID001746594-01-00-02232 (Beilstein Handbook Reference)RefChem:93311DTXCID60971502063-19-64-bromo-2-methylbut-3-yn-2-ol

名称をさらに表示

MFCD001607961-bromo-3-hydroxy-3-methyl-1-butyneSCHEMBL617841PCIPCEOKFBAUNM-UHFFFAOYSA-NCAA06319AKOS024339871AS-92082SY325595

データベース識別子

CAS: 2063-19-6
PubChem CID: 200427
DTXSID: DTXSID00174659
EC Number: 984-176-2
Nikkaji: J65.782D

物性

構造計算による物性

XLogP: 1.3
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 115

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.