6-クロロ-4-(トリフルオロメチル)ニコチン酸メチル

Methyl 6-chloro-4-(trifluoromethyl)nicotinate

HCID 2775340

ノート反応

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基本情報

CAS: 261635-79-4
標準SMILES: COC(=O)c1cnc(Cl)cc1C(F)(F)F
InChIKey: CFJDLJIDLYBQQY-UHFFFAOYSA-N
分子式: C8H5ClF3NO2
平均分子量: 239.58 g/mol
単同位体質量: 238.99609074

名称と識別子

優先名称: Methyl 6-chloro-4-(trifluoromethyl)nicotinate
IUPAC: methyl 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylate
現地名: 6-クロロ-4-(トリフルオロメチル)ニコチン酸メチル
英語名: Methyl 6-chloro-4-(trifluoromethyl)nicotinate
分子式: C8H5ClF3NO2
分子量: 239.58

名称と別名

METHYL 6-CHLORO-4-(TRIFLUOROMETHYL)NICOTINATE261635-79-4DTXSID10379532RefChem:356289DTXCID20330558671-232-3methyl 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylateMFCD019413153-Pyridinecarboxylic acid, 6-chloro-4-(trifluoromethyl)-, methyl esterAKOS015851235PS-11258methyl-6-chloro-4-(trifluoromethyl)nicotinate

名称をさらに表示

6-クロロ-4-(トリフルオロメチル)ニコチン酸メチルMethyl 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylate, 6-Chloro-3-(methoxycarbonyl)-4-(trifluoromethyl)pyridine

methyl 6-chloro-4-(trifluoromethyl)-nicotinate6-chloro-4-trifluoromethyl-nicotinic acid methyl esterSCHEMBL473983BBL102191SBB099139STL555990SY062649methyl 6-chloro-4-trifluoromethylnicotinate

データベース識別子

CAS: 261635-79-4
PubChem CID: 2775340
DTXSID: DTXSID10379532
EC Number: 671-232-3

物性

構造計算による物性

XLogP: 2.6
極性表面積: 39.2 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 247

物理化学的性質

沸点: 106 · 106-108°C 20mm
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: liquid
色: Clear

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.