CAS 80099-98-5 6-chloropyridine-2-carbonyl Chloride (HCID 10942976)

基本情報

CAS: 80099-98-5
標準SMILES: O=C(Cl)c1cccc(Cl)n1
InChIKey: INDXGKMKACLIJS-UHFFFAOYSA-N
分子式: C6H3Cl2NO
平均分子量: 176 g/mol
単同位体質量: 174.95916908

名称と識別子

優先名称: 6-chloropyridine-2-carbonyl Chloride
IUPAC: 6-chloropyridine-2-carbonyl chloride
英語名: 6-Chloro-pyridine-2-carbonyl chloride
分子式: C6H3Cl2NO
分子量: 176

名称と別名

80099-98-56-chloropyridine-2-carbonyl Chloride6-chloro-2-Pyridinecarbonyl chlorideDTXSID00449177RefChem:541975DTXCID70399998863-542-46-chloropicolinoyl chloride2-Pyridinecarbonylchloride, 6-chloro-6-CHLORO-PYRIDINE-2-CARBONYL CHLORIDEMFCD00274531C6H3Cl2NO

名称をさらに表示

6-Chloropicolinic acid chloride2-Chloro-6-pyridylcarbonyl chloride2-Pyridinecarbonyl chloride, 6-chloro- (9CI)6-CHLORO-PYRIDINE-2-CARBONYL CHLORIDE ISO 9001：2015 REACH

2-Pyridinecarbonyl chloride, 6-chloro-6-chloropicolinoylchlorideSCHEMBL1766284INDXGKMKACLIJS-UHFFFAOYSA-NSBB053638AKOS006271936AS-96612-chloropyridine-6-carboxylic acid chloride

データベース識別子

CAS: 80099-98-5
PubChem CID: 10942976
DTXSID: DTXSID00449177
EC Number: 863-542-4

物性

構造計算による物性

XLogP: 2.7
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: 140

物理化学的性質

沸点: 239 · 239.0±20.0 °C(Predicted)
比重(密度): 1.454 · 1.454±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -2.22 · -2.22±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 17 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.