4-(Bromomethyl)cyclohexan-1-ol

HCID 21832707

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 207669-62-3
標準SMILES: OC1CCC(CBr)CC1
InChIKey: ONPOTKLFNVQDGA-UHFFFAOYSA-N
分子式: C7H13BrO
平均分子量: 193.08 g/mol
単同位体質量: 192.01498

名称と識別子

優先名称: 4-(Bromomethyl)cyclohexan-1-ol
IUPAC: 4-(bromomethyl)cyclohexan-1-ol

名称と別名

207669-62-34-(bromomethyl)cyclohexan-1-olRefChem:515420871-160-44-Bromomethylcyclohexanol4-(Bromomethyl)cyclohexanol1799740-47-8rac-(1r,4r)-4-(bromomethyl)cyclohexan-1-ol, trans4-bromomethyl-cyclohexanol4-(bromomethyl)cyclohexan-1-ol,MixtureofdiastereomersSCHEMBL8448253SCHEMBL13597404

名称をさらに表示

SCHEMBL27036851ONPOTKLFNVQDGA-UHFFFAOYSA-N(1r,4r)-4-(bromomethyl)cyclohexan-1-olEN300-2972599EN300-37440885

データベース識別子

CAS: 207669-62-3
PubChem CID: 21832707
EC Number: 871-160-4

物性

構造計算による物性

XLogP: 2
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: 9
形式電荷: 0
複雑度: 77

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.