2,6-ジクロロ-4-(トリフルオロメチル)ニコチンアミド

2,6-Dichloro-4-(trifluoromethyl)nicotinamide

HCID 2736874CAS 158063-67-3

部分構造検索類似構造を探す

基本情報

標準SMILES: NC(=O)c1c(C(F)(F)F)cc(Cl)nc1Cl
InChIKey: KPMYDDLYJBPUEY-UHFFFAOYSA-N
分子式: C7H3Cl2F3N2O
平均分子量: 259.01 g/mol
単同位体質量: 257.95745274

名称と識別子

優先名称: 2,6-Dichloro-4-(trifluoromethyl)nicotinamide
IUPAC: 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide
現地名: 2,6-ジクロロ-4-(トリフルオロメチル)ニコチンアミド
英語名: 2,6-DICHLORO-4-(TRIFLUOROMETHYL)NICOTINAMIDE
分子式: C7H3Cl2F3N2O
分子量: 259.01

名称と別名

2,6-dichloro-4-(trifluoromethyl)nicotinamide158063-67-3DTXSID20371668RefChem:445402DTXCID30322702692-327-62,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamideMFCD00173903C7H3Cl2F3N2O3-Pyridinecarboxamide, 2,6-dichloro-4-(trifluoromethyl)-2,6-dichloro-4-(trifluoromethyl)nicotinamide 97%SCHEMBL565623

名称をさらに表示

2,6-ジクロロ-4-(トリフルオロメチル)ニコチンアミドNicotinamide Impurity 562,6-chloro-4-trifluoromethylamide2,6-Dichloro-4-(trifluoromethyl)nicotinamide97%2,6-Dichloro-4-(trifluoromethyl)nicotinamide 95+%

2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide97%2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide 97%SBB102107AKOS005146068AS-5630SY3794502,6-Dichloro-4-trifluoromethyl-nicotinamideCS-0186520

データベース識別子

CAS: 158063-67-3
PubChem CID: 2736874
DTXSID: DTXSID20371668
EC Number: 692-327-6

物性

構造計算による物性

XLogP: 2.5
極性表面積: 56 Å²
水素結合供与体数: 1
水素結合受容体数: 5
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: 198 · 198-200°C
沸点: 267 ℃ · 267℃
比重(密度): 1.631 · 1.631
闪点: 115 ℃ · 115℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: solid
酸解離定数(Pka): 13.36 · 13.36±0.50(Predicted)
色: White
CAS データベース: 158063 · 158063-67-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.