4-Chloro-1-methyl-3-nitro-1,2-dihydropyridin-2-one

HCID 22490301

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 719268-89-0
標準SMILES: Cn1ccc(Cl)c([N+](=O)[O-])c1=O
InChIKey: SOZKCGXAVVUKIT-UHFFFAOYSA-N
分子式: C6H5ClN2O3
平均分子量: 188.57 g/mol

名称と識別子

優先名称: 4-Chloro-1-methyl-3-nitro-1,2-dihydropyridin-2-one
IUPAC: 4-chloro-1-methyl-3-nitropyridin-2-one
英語名: 4-Chloro-1-methyl-3-nitro-1H-pyridin-2-one
分子式: C6H5ClN2O3
分子量: 188.57

名称と別名

719268-89-04-chloro-1-methyl-3-nitro-1,2-dihydropyridin-2-oneRefChem:520783892-774-94-chloro-1-methyl-3-nitropyridin-2(1H)-one4-chloro-1-methyl-3-nitro-1H-pyridin-2-oneMFCD259491414-chloro-1-methyl-3-nitropyridin-2-one2(1H)-Pyridinone, 4-chloro-1-methyl-3-nitro-SCHEMBL6286816SOZKCGXAVVUKIT-UHFFFAOYSA-NAKOS037649236

名称をさらに表示

4-chloro-1-methyl-3-nitro-1,2-dihydropyridin-2-on e

BS-17469SY4223224-chloro-1-methyl-3-nitro-pyridin-2-oneDB-090617CS-0151176D81193EN300-7947605F694886

データベース識別子

CAS: 719268-89-0
PubChem CID: 22490301
EC Number: 892-774-9

物性

構造計算による物性

XLogP: 0.8
極性表面積: 66.1 Å²
水素結合供与体数: 0
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: 302

物理化学的性質

沸点: 256 · 256.0±40.0 °C(Predicted)
比重(密度): 1.52 · 1.52±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -7.03 · -7.03±0.62(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, 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.