5-(ヒドロキシメチル)-2-フランカルボニトリル

5-(Hydroxymethyl)furan-2-carbonitrile

HCID 3021406CAS 89149-70-2

部分構造検索類似構造を探す

基本情報

標準SMILES: N#Cc1ccc(CO)o1
InChIKey: XAOLIZQQNMUXQB-UHFFFAOYSA-N
分子式: C6H5NO2
平均分子量: 123.11 g/mol
単同位体質量: 123.0320284

名称と識別子

優先名称: 5-(Hydroxymethyl)furan-2-carbonitrile
IUPAC: 5-(hydroxymethyl)furan-2-carbonitrile
現地名: 5-(ヒドロキシメチル)-2-フランカルボニトリル
英語名: 5-(Hydroxymethyl)furan-2-carbonitrile
分子式: C6H5NO2
分子量: 123.11

名称と別名

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

名称をさらに表示

5-(ヒドロキシメチル)-2-フランカルボニトリル5-(ヒドロキシメチル)フラン-2-カルボニトリル

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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.2
極性表面積: 57.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 137

安全と法規制

GHS分類

GHS Classification · 5 件

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.