5-(羟甲基)呋喃-2-甲腈

5-(Hydroxymethyl)furan-2-carbonitrile

HCID 3021406CAS 89149-70-2

子结构检索查找相似结构

基本信息

标准SMILES: N#Cc1ccc(CO)o1
InChIKey: XAOLIZQQNMUXQB-UHFFFAOYSA-N
分子式: C6H5NO2
平均分子量: 123.11 g/mol
单同位素质量: 123.0320284

名称与标识

首选名称: 5-(Hydroxymethyl)furan-2-carbonitrile
IUPAC: 5-(hydroxymethyl)furan-2-carbonitrile
中文名: 5-(羟甲基)呋喃-2-甲腈
英文名: 5-(Hydroxymethyl)furan-2-carbonitrile
分子式: C6H5NO2
分子量: 123.11

名称与别名

5-(Hydroxymethyl)furan-2-carbonitrile89149-70-2EINECS 289-476-05-(HYDROXYMETHYL)-2-FURANCARBONITRILEDTXSID30237549RefChem:531304DTXCID30160040289-476-05-hydroxymethyl-2-furancarbonitrile2-Furancarbonitrile,5-(hydroxymethyl)-5-hydroxymethyl-furan-2-carbonitrileFE3Y5F8RJW

展开更多名称

5-(羟甲基)呋喃-2-甲腈

5-Hydroxymethyl-2-cyanofuranSCHEMBL2359472PDA149705-Hydoxymethylfuran-2-carbononitrileAKOS006285518AB440382-Furancarbonitrile, 5-(hydroxymethyl)-DB-078308

数据库标识

CAS: 89149-70-2
PubChem CID: 3021406
DTXSID: DTXSID30237549
UNII: FE3Y5F8RJW
EC Number: 289-476-0
Nikkaji: J348.574I

性质

结构计算性质

XLogP: 0.2
极性表面积: 57.2 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 137

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, 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)

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