CAS 503437-19-2 2,6-Dichloro-4-(trifluoromethyl)nicotinic acid (HCID 21948196)

基本情報

CAS: 503437-19-2
標準SMILES: O=C(O)c1c(C(F)(F)F)cc(Cl)nc1Cl
InChIKey: PZBCYMXYIZQNFE-UHFFFAOYSA-N
分子式: C7H2Cl2F3NO2
平均分子量: 259.99 g/mol
単同位体質量: 258.94146832

名称と識別子

優先名称: 2,6-Dichloro-4-(trifluoromethyl)nicotinic acid
IUPAC: 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxylic acid
現地名: 2,6-ジクロロ-4-(トリフルオロメチル)ニコチン酸
英語名: 2,6-Dichloro-4-trifluoromethyl-nicotinic acid
分子式: C7H2Cl2F3NO2
分子量: 260

名称と別名

2,6-dichloro-4-(trifluoromethyl)nicotinic acidRefChem:445403899-677-0503437-19-22,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxylic acidMFCD06208180SCHEMBL2090729DTXSID106205913-Pyridinecarboxylic acid, 2,6-dichloro-4-(trifluoromethyl)-SBB052963AKOS005072339ED-0724

名称をさらに表示

2,6-ジクロロ-4-(トリフルオロメチル)ニコチン酸RARECHEM AL BO 0730IFLAB-BB F2108-00982,6-Dichloro-4-trifluoromethyl-nicotinic acid2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxylicaci2,6-Dichloro-4-(trifluoromethyl)pyridine-3-carboxylic acid, 3-Carboxy-2,6-dichloro-4-(trifluoromethyl)pyridine

DB-000816CS-04531292,6-dichloro-4-(trifluoromethyl)nicotinicacidF0465332,6-Dichloro-4-(trifluoromethyl)-3-pyridinecarboxylic acid

データベース識別子

CAS: 503437-19-2
PubChem CID: 21948196
DTXSID: DTXSID10620591
EC Number: 899-677-0

物性

構造計算による物性

XLogP: 3.2
極性表面積: 50.2 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 261

物理化学的性質

融点: 79 · 79-80°
比重(密度): 1.703 · 1.703
貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.