Pyridine-2-carbonyl chloride

HCID 135034

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 29745-44-6
標準SMILES: O=C(Cl)c1ccccn1
InChIKey: PSAYJRPASWETSH-UHFFFAOYSA-N
分子式: C6H4ClNO
平均分子量: 141.55 g/mol

名称と識別子

優先名称: Pyridine-2-carbonyl chloride
IUPAC: pyridine-2-carbonyl chloride
英語名: 2-Pyridinecarboxylicacid chloride
分子式: C6H4ClNO
分子量: 141.56

名称と別名

pyridine-2-carbonyl chlorideRefChem:870731859-484-429745-44-62-pyridinecarbonyl chloridepicolinoyl chloride2-PYRIDINECARBOXYLIC ACID CHLORIDEpicolinic acid chloride2-PYRIDINECARBOXYLICACIDCHLORIDE2-Pyridoyl chlorideSFB9GY7SBF2-pyridylcarbonyl chloride

名称をさらに表示

nikethamide crude impurity 052-Pyridinecarboxylicacid chloridepyridine-2-carboxylicacid,chloride2-Pyridinecarbonyl chloride (9CI, ACI)2-PYRIDINECARBOXYLICACID CHLORIDE ISO 9001：2015 REACH2-pyridi2-pyridinecarboxylicacid chloridenecarboxylicacid chloride

SCHEMBL14682-pyridine carbonyl chlorideSCHEMBL29407094PSAYJRPASWETSH-UHFFFAOYSA-Npyridine-2-carboxylic acid chloridpyridine-2-carboxylic acid chlorideMFCD08235236AKOS022136734

データベース識別子

CAS: 29745-44-6
PubChem CID: 135034
UNII: SFB9GY7SBF
EC Number: 859-484-4
Nikkaji: J257.513B

物性

構造計算による物性

XLogP: 1.8
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: 9
形式電荷: 0
複雑度: 116

物理化学的性質

沸点: 204.1 · 204.1±13.0 °C(Predicted)
比重(密度): 1.297 · 1.297±0.06 g/cm3(Predicted)
酸解離定数(Pka): 0.49 · 0.49±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.