CAS 27609-91-2 4-Formyl-3-methylbenzonitrile (HCID 10909695)

基本情報

CAS: 27609-91-2
標準SMILES: Cc1cc(C#N)ccc1C=O
InChIKey: GVWRWNKPXVHRPJ-UHFFFAOYSA-N
分子式: C9H7NO
平均分子量: 145.16 g/mol

名称と識別子

優先名称: 4-Formyl-3-methylbenzonitrile
IUPAC: 4-formyl-3-methylbenzonitrile
英語名: Benzonitrile, 4-formyl-3-methyl- (9CI)
分子式: C9H7NO
分子量: 145.16

名称と別名

4-Formyl-3-methylbenzonitrile27609-91-2RefChem:523531976-967-6Benzonitrile, 4-formyl-3-methyl-4-Cyano-2-methylbenzaldehydeMFCD183942974-formyl-3-methyl-benzonitrileBenzonitrile, 4-formyl-3-methyl- (9CI)4-Formyl-m-tolunitrile3-methyl-4-formylbenzonitrileSCHEMBL2460307

名称をさらに表示

SCHEMBL6313896SCHEMBL29956134GVWRWNKPXVHRPJ-UHFFFAOYSA-NAKOS022174494CS-W022185DS-6497DA-07410SY107968

データベース識別子

CAS: 27609-91-2
PubChem CID: 10909695
EC Number: 976-967-6

物性

構造計算による物性

XLogP: 1.5
極性表面積: 40.9 Å²
水素結合供与体数: 0
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: 191

物理化学的性質

沸点: 306.6 · 306.6±30.0 °C(Predicted)
比重(密度): 1.12 · 1.12±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C

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, 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.