5-フルオロ-2-(トリフルオロメチル)ベンゾイルクロリド

5-Fluoro-2-(trifluoromethyl)benzoyl chloride

HCID 2737560

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 216144-70-6
標準SMILES: O=C(Cl)c1cc(F)ccc1C(F)(F)F
InChIKey: VHTVVTDYYXQDHS-UHFFFAOYSA-N
分子式: C8H3ClF4O
平均分子量: 226.55 g/mol
単同位体質量: 225.9808551

名称と識別子

優先名称: 5-Fluoro-2-(trifluoromethyl)benzoyl chloride
IUPAC: 5-fluoro-2-(trifluoromethyl)benzoyl chloride
現地名: 5-フルオロ-2-(トリフルオロメチル)ベンゾイルクロリド
英語名: 5-Fluoro-2-(trifluoromethyl)benzoyl chloride
分子式: C8H3ClF4O
分子量: 226.56

名称と別名

5-Fluoro-2-(trifluoromethyl)benzoyl chloride216144-70-6DTXSID30372141RefChem:303131DTXCID90323174624-327-9MFCD000835345-Fluoro-2-(trifluoromethyl)benzoylChlorideBenzoyl chloride, 5-fluoro-2-(trifluoromethyl)-5-fluoro-2-trifluoromethylbenzoyl chloride5-Fluoro-2-trifluoromethyl-benzoyl chlorideSCHEMBL936738

名称をさらに表示

5-フルオロ-2-(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-o-トルオイルクロリドSKL1246OTF-BOC-5Fà,à,à,5-tertafluoro-o-toluoyl chloride2-TRIFLUOROMETHYL-5-FLUOROBENZOYL CHLORIDE3-Fluoro-6-trifluoromethylbenzoyl chloride5-Fluoro-2-(trifluoromethyl)benzoylchloride97%5-Fluoro-2-(trifluoromethyl)benzoylChloride>Benzoyl chloride, 5-fluoro-2-(trifluoromethyl)-5-Fluoro-2-(trifluoromethyl)benzoyl chloride 97%

SCHEMBL29789772SBB067921AKOS015853220PS-107385-fluoro 2-trifluoromethyl benzoyl chlorideF0769F0079185-Fluoro-2-(trifluoromethyl)benzoyl chloride, 97%

データベース識別子

CAS: 216144-70-6
PubChem CID: 2737560
DTXSID: DTXSID30372141
EC Number: 624-327-9

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: 169 °C · 169 °C (lit.)
比重(密度): 1.5 g/mL · 1.5 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.463(lit.)
闪点: 188 °F · 188 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: liquid
比重: 1.5 · 1.500
色: Clear, colourless
InChI: 1S/C8H3ClF4O/c9-7(14)5-3-4(10)1-2-6(5)8(11,12)13/h1-3H
InChIKey: VHTVVTDYYXQDHS-UHFFFAOYSA-N
SMILES: Fc1ccc(c(c1)C(Cl)=O)C(F)(F)F
CAS データベース: 216144 · 216144-70-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 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 45 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.