CAS 22934-13-0 4,6-Dimethyl-3-nitropyridin-2(1H)-one (HCID 535972)

基本情報

CAS: 22934-13-0
標準SMILES: Cc1cc(C)c([N+](=O)[O-])c(=O)[nH]1
InChIKey: NACUUHJKIYEVFA-UHFFFAOYSA-N
分子式: C7H8N2O3
平均分子量: 168.15 g/mol

名称と識別子

優先名称: 4,6-Dimethyl-3-nitropyridin-2(1H)-one
IUPAC: 4,6-dimethyl-3-nitro-1H-pyridin-2-one
英語名: 2(1H)-pyridinone, 4,6-dimethyl-3-nitro-
分子式: C7H8N2O3
分子量: 168.15

名称と別名

4,6-dimethyl-3-nitropyridin-2(1H)-one22934-13-0RefChem:508138858-961-42(1h)-pyridinone, 4,6-dimethyl-3-nitro-4,6-dimethyl-3-nitro-1H-pyridin-2-one4,6-dimethyl-3-nitro-1,2-dihydropyridin-2-oneMFCD068096254,6-Dimethyl-3-nitro-2(1H)-pyridinone4,6-dimethyl-3-nitropyridin-2(1{H})-one4,6-dimethyl-3-nitrohydropyridin-2-oneZERO/004565

名称をさらに表示

4,6-Dimethyl-2-nitro(1H)-pyridone

2-Pyridinol, 4,6-dimethyl-3-nitro- (7CI,8CI); 4,6-Dimethyl-3-nitro-2(1H)-pyridinoneSCHEMBL1625160SCHEMBL142751354,6-dimethyl-3-nitro-2-pyridoneALBB-013501SBB012764STK720119ZINC04342603

データベース識別子

CAS: 22934-13-0
PubChem CID: 535972
EC Number: 858-961-4
Nikkaji: J1.056.591J

物性

構造計算による物性

XLogP: 0.5
極性表面積: 74.9 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: 0
重原子数: 12
形式電荷: 0
複雑度: 309

物理化学的性質

融点: 215 °C · >215°C (dec.)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: アセトニトリル（微量）、DMSO（微量）
外見: 個体
色: 黄色

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.