2-Cyclopropyl-2-hydroxyacetonitrile

HCID 11389359

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5648-87-3
標準SMILES: N#CC(O)C1CC1
InChIKey: ILJKKAIQFPEIBL-UHFFFAOYSA-N
分子式: C5H7NO
平均分子量: 97.12 g/mol

名称と識別子

優先名称: 2-Cyclopropyl-2-hydroxyacetonitrile
IUPAC: 2-cyclopropyl-2-hydroxyacetonitrile
英語名: 2-cyclopropyl-2-hydroxyacetonitrile
分子式: C5H7NO
分子量: 97.12

名称と別名

2-cyclopropyl-2-hydroxyacetonitrile5648-87-3RefChem:471113873-548-9MFCD14622836Cyclopropaneacetonitrile, a-hydroxy-Cyclopropaneacetonitrile, alpha-hydroxy-cyclopropyl-hydroxy-acetonitrilecyclopropylcarboxaldehyecylopropyl carboxaldehydecyclopropyl carboxaldehydecyclopropyl-carboxaldehyde

名称をさらに表示

Cyclopropaneacetonitrile, α-hydroxy-

SCHEMBL367543SCHEMBL367544CHEMBL2271406ILJKKAIQFPEIBL-UHFFFAOYSA-N2-cyclopropyl-2-oxidanyl-ethanenitrileAKOS010564531SY193661CS-0254618

データベース識別子

CAS: 5648-87-3
PubChem CID: 11389359
ChEMBL: CHEMBL2271406
EC Number: 873-548-9
Nikkaji: J1.811.232I

物性

構造計算による物性

XLogP: 0.1
極性表面積: 44 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: 7
形式電荷: 0
複雑度: 108

物理化学的性質

貯蔵温度: 2 · Storage temp. 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.