CAS 65352-94-5 2-Fluoropyridine-5-carbonyl chloride (HCID 14623602)

基本情報

CAS: 65352-94-5
標準SMILES: O=C(Cl)c1ccc(F)nc1
InChIKey: IPOCOANFUVSCLZ-UHFFFAOYSA-N
分子式: C6H3ClFNO
平均分子量: 159.54 g/mol
単同位体質量: 158.98871962

名称と識別子

優先名称: 2-Fluoropyridine-5-carbonyl chloride
IUPAC: 6-fluoropyridine-3-carbonyl chloride
現地名: 6-フルオロニコチノイルクロリド
英語名: 3-Pyridinecarbonyl chloride, 6-fluoro- (9CI)
分子式: C6H3ClFNO
分子量: 159.55

名称と別名

2-Fluoropyridine-5-carbonyl chlorideRefChem:472671687-741-965352-94-56-fluoropyridine-3-carbonyl chloride6-fluoronicotinoyl chlorideMFCD077812336-FLUORO-3-PYRIDINECARBONYL CHLORIDE2-Fluoropyridine-5-carbonyl chloride (~80%)6-Fluoro-nicotinoyl chloride3-PYRIDINECARBONYL CHLORIDE, 6-FLUORO-3-Pyridinecarbonyl chloride, 6-fluoro- (9CI)

名称をさらに表示

6-フルオロニコチノイルクロリドSKL12146-Fluoro-3-Pyridinecarbonylchloride3-Pyridinecarbonyl chloride, 6-fluoro- (9CI) ISO 9001：2015 REACH2-Fluoropyridine-5-carbonyl chloride, 6-Fluoropyridine-3-carbonyl chloride, 5-(Chlorocarbonyl)-2-fluoropyridine

3-Pyridinecarbonylchloride, 6-fluoro-6-fluoronicotinoylchlorideSCHEMBL6919346-fluoro nicotinic acid chlorideDTXSID50562325IPOCOANFUVSCLZ-UHFFFAOYSA-NSBB087392AKOS006343269

データベース識別子

CAS: 65352-94-5
PubChem CID: 14623602
DTXSID: DTXSID50562325
EC Number: 687-741-9

物性

構造計算による物性

XLogP: 3.1
極性表面積: 30 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: 1
重原子数: 10
形式電荷: 0
複雑度: 142

物理化学的性質

沸点: 90 · 90-94°C/15mm
比重(密度): 1.408 · 1.408±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
溶解性: ベンゼン（微量）、クロロホルム（微量）、DMSO（微量）
外見: オフホワイトの浮遊粒子を含む無色のオイル
酸解離定数(Pka): -3.03 · -3.03±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H227 (40%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.