3-(5-Bromopyridin-2-yl)prop-2-yn-1-ol

HCID 13979730CAS 111770-82-2

基本情報

標準SMILES: OCC#Cc1ccc(Br)cn1
InChIKey: HDNAKCCUGDNOSZ-UHFFFAOYSA-N
分子式: C8H6BrNO
平均分子量: 212.04 g/mol

名称と識別子

優先名称: 3-(5-Bromopyridin-2-yl)prop-2-yn-1-ol
IUPAC: 3-(5-bromo-2-pyridinyl)prop-2-yn-1-ol
英語名: 3-(5-Bromo-2-pyridinyl)-2-propyn-1-ol
分子式: C8H6BrNO
分子量: 212.04

名称と別名

3-(5-bromopyridin-2-yl)prop-2-yn-1-ol111770-82-2RefChem:493682864-830-23-(5-bromo-2-pyridinyl)-2-propyn-1-ol3-(5-bromo-pyridin-2-yl)-prop-2-yn-1-olSCHEMBL4521816HDNAKCCUGDNOSZ-UHFFFAOYSA-HDNAKCCUGDNOSZ-UHFFFAOYSA-NLEA77082AKOS005067836HS-3677

名称をさらに表示

2-Propyn-1-ol, 3-(5-bromo-2-pyridinyl)-

3-(5-bromo-2-pyridyl)prop-2-yn-1-olCS-0311036EN300-298120G39344Z1416179292InChI=1/C8H6BrNO/c9-7-3-4-8(10-6-7)2-1-5-11/h3-4,6,11H,5H2

データベース識別子

CAS: 111770-82-2
PubChem CID: 13979730
EC Number: 864-830-2

物性

構造計算による物性

XLogP: 1.1
極性表面積: 33.1 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: 1
重原子数: 11
形式電荷: 0
複雑度: 181

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.