Methyl 5-formylpyrazine-2-carboxylate

HCID 44515461

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 710322-57-9
標準SMILES: COC(=O)c1cnc(C=O)cn1
InChIKey: KNAAFIKYVYERNG-UHFFFAOYSA-N
分子式: C7H6N2O3
平均分子量: 166.13 g/mol
単同位体質量: 166.03784205

名称と識別子

優先名称: Methyl 5-formylpyrazine-2-carboxylate
IUPAC: methyl 5-formylpyrazine-2-carboxylate
英語名: Pyrazinecarboxylic acid, 5-formyl-, methyl ester (9CI)
分子式: C7H6N2O3
分子量: 166.13

名称と別名

Methyl 5-formylpyrazine-2-carboxylate710322-57-9DTXSID90659243RefChem:356090DTXCID60609992865-064-1MFCD127559105-FORMYL-PYRAZINE-2-CARBOXYLIC ACID METHYL ESTERPYRAZINECARBOXYLIC ACID, 5-FORMYL-, METHYL ESTERPyrazinecarboxylic acid, 5-forMyl-, Methyl ester (9CI)SCHEMBL992006KNAAFIKYVYERNG-UHFFFAOYSA-N

名称をさらに表示

2-Pyrazinecarboxylic acid, 5-formyl-, methyl ester

Methyl5-Formylpyrazine-2-carboxylateAKOS016007474AB65854CS-W022869DA-32309DS-18578SY111567METHYL 5-FORMYL-2-PYRAZINECARBOXYLATE

データベース識別子

CAS: 710322-57-9
PubChem CID: 44515461
DTXSID: DTXSID90659243
EC Number: 865-064-1

物性

構造計算による物性

XLogP: -0.7
極性表面積: 69.2 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 183

物理化学的性質

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

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.