3-フルオロ-5-(トリフルオロメチル)ベンゾイルクロリド

3-Fluoro-5-(trifluoromethyl)benzoyl chloride

HCID 519364

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 171243-30-4
標準SMILES: O=C(Cl)c1cc(F)cc(C(F)(F)F)c1
InChIKey: BGAKSLBTFLVNAH-UHFFFAOYSA-N
分子式: C8H3ClF4O
平均分子量: 226.55 g/mol
単同位体質量: 225.98085528

名称と識別子

優先名称: 3-Fluoro-5-(trifluoromethyl)benzoyl chloride
IUPAC: 3-fluoro-5-(trifluoromethyl)benzoyl chloride
現地名: 3-フルオロ-5-(トリフルオロメチル)ベンゾイルクロリド
英語名: 3-Fluoro-5-(trifluoromethyl)benzoyl chloride
分子式: C8H3ClF4O
分子量: 226.56

名称と別名

3-Fluoro-5-(trifluoromethyl)benzoyl chloride171243-30-4DTXSID60333987RefChem:93926DTXCID00285077624-911-3BGAKSLBTFLVNAH-UHFFFAOYSA-NMFCD000611573-Fluoro-5-trifluoromethylbenzoyl chloride3-fluoro-5-(trifluoromethyl)benzoylchlorideAC-10883SY048987

名称をさらに表示

3-フルオロ-5-(トリフルオロメチル)ベンゾイルクロリドα,α,α,5-テトラフルオロ-m-トルオイルクロリドSKL1233BUTTPARK 32\01-72à,à,à,5-tetrafluoro-m-toluoyl chloride3-Fluoro-5-(trifluoromethyl)benzoylChloride>3-Fluoro-5-(trifluoromethyl)benzoylchloride97%3-fluoro-5-(trifluoromethyl)benzeneformylchloroBenzoyl chloride, 3-fluoro-5-(trifluoromethyl)-3-Fluoro-5-(trifluoromethyl)benzoyl chloride 97%

3-fluoro-5-trifluoromethyl-benzoyl chloride3-Fluoro-5-(trifluoromethyl)benzoyl chloride, 95%5-fluoro-3-(trifluoromethyl)benzoyl chloridealpha,alpha,aalpha,alpha,alpha,5-Tetrafluoro-m-toluoyl ChlorideAM613733-fluoro-5-(trifluoromethyl)benzoic acid chlorideSCHEMBL679313

データベース識別子

CAS: 171243-30-4
PubChem CID: 519364
DTXSID: DTXSID60333987
EC Number: 624-911-3
Nikkaji: J1.894.742K

物性

構造計算による物性

XLogP: 3.4
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 228

物理化学的性質

沸点: 119 °C · 119 °C (lit.)
比重(密度): 1.482 g/mL · 1.482 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.462(lit.)
闪点: 165 °F · 165 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: liquid
比重: 1.482 · 1.482
色: Clear, faint orange
BRN: 8056839 · 8056839
InChI: 1S/C8H3ClF4O/c9-7(14)4-1-5(8(11,12)13)3-6(10)2-4/h1-3H
InChIKey: BGAKSLBTFLVNAH-UHFFFAOYSA-N
SMILES: Fc1cc(cc(c1)C(F)(F)F)C(Cl)=O
CAS データベース: 171243 · 171243-30-4(CAS DataBase Reference)

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

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.