3,5-Dimethylpyridine-2-carbaldehyde

HCID 18731683CAS 675138-02-0

基本情報

標準SMILES: Cc1cnc(C=O)c(C)c1
InChIKey: BYDYILQCRDXHLB-UHFFFAOYSA-N
分子式: C8H9NO
平均分子量: 135.16 g/mol
単同位体質量: 135.06841391

名称と識別子

優先名称: 3,5-Dimethylpyridine-2-carbaldehyde
IUPAC: 3,5-dimethylpyridine-2-carbaldehyde
英語名: 2-Pyridinecarboxaldehyde,3,5-dimethyl-(9CI)
分子式: C8H9NO
分子量: 135.16

名称と別名

675138-02-03,5-DIMETHYLPYRIDINE-2-CARBALDEHYDEDTXSID80595883RefChem:271974DTXCID10546646835-706-53,5-Dimethylpyridine-2-carboxaldehyde3,5-DIMETHYLPICOLINALDEHYDE2-Pyridinecarboxaldehyde,3,5-dimethyl-(9CI)MFCD09839186SCHEMBL1206724BYDYILQCRDXHLB-UHFFFAOYSA-N

名称をさらに表示

3,5-Dimethyl-2-Pyridinecarboxaldehyde2-Pyridinecarboxaldehyde, 3,5-dimethyl-

ACB138023,5-dimethyl-pyridine-2-carbaldehyde3.5-dimethyl-pyridine-2-carbaldehydeAKOS006229131AB535253,5-dimethyl-pyridine-2-carboxaldehydeSY293481DB-082131

データベース識別子

CAS: 675138-02-0
PubChem CID: 18731683
DTXSID: DTXSID80595883
EC Number: 835-706-5

物性

構造計算による物性

XLogP: 1.4
極性表面積: 30 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: 10
形式電荷: 0
複雑度: 124

物理化学的性質

沸点: 233.3 · 233.3±35.0 °C(Predicted)
比重(密度): 1.065 · 1.065±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 4.51 · 4.51±0.10(Predicted)

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.