2-フルオロ-5-(トリフルオロメチル)ベンゾイルクロリド

2-Fluoro-5-(trifluoromethyl)benzoyl Chloride

HCID 2734880CAS 207981-46-2

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(Cl)c1cc(C(F)(F)F)ccc1F
InChIKey: OFVKAIZITGCCDN-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: 2-Fluoro-5-(trifluoromethyl)benzoyl Chloride
IUPAC: 2-fluoro-5-(trifluoromethyl)benzoyl chloride
現地名: 2-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: 2-Fluoro-5-(trifluoromethyl)benzoyl chloride
分子式: C8H3ClF4O
分子量: 226.56

名称と別名

2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-2DTXSID20370550RefChem:260972DTXCID00321585632-656-42-fluoro-5-trifluoromethylbenzoyl chlorideMFCD00061156Benzoyl chloride, 2-fluoro-5-(trifluoromethyl)-alpha,alpha,alpha,6-Tetrafluoro-m-toluoyl ChlorideAKOS0052558965-trifluoromethyl-2-fluorobenzoyl chloride

名称をさらに表示

2-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,6-テトラフルオロ-m-トルオイルクロリドSKL1232à,à,à,6-tetrafluoro-m-toluoyl chlorideα,α,α,6-Tetrafluoro-m-toluoyl chloride2-Fluoro-5-(trifluoromethyl)benzoylchloride97%2-Fluoro-5-(trifluoromethyl)benzoylChloride>Benzoyl chloride, 2-fluoro-5-(trifluoromethyl)-2-Fluoro-5-(trifluoromethyl)benzoyl chloride 97%2-Fluoro-5-(trifluoroMethyl)benzoyl chloride, 97% 5GR

2-fluoro-5-(trifluoromethyl)benzoylchloride2-Fluoro-5-2-Fluoro-5-trifluoromethyl-benzoyl chlorideSCHEMBL283293BBL100988SBB0970082-fluoro-5-trifluoromethylbenzoylchloridePS-10736

データベース識別子

CAS: 207981-46-2
PubChem CID: 2734880
DTXSID: DTXSID20370550
EC Number: 632-656-4

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: 191 °C · 191 °C (lit.)
比重(密度): 1.499 g/mL · 1.499 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.468(lit.)
闪点: 200 °F · 200 °F
貯蔵温度: Refrigerator (+4°C)
外見: clear liquid
色: Colorless to Light yellow
比重: 1.499 · 1.499
InChI: 1S/C8H3ClF4O/c9-7(14)5-3-4(8(11,12)13)1-2-6(5)10/h1-3H
InChIKey: OFVKAIZITGCCDN-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1C(Cl)=O)C(F)(F)F
CAS データベース: 207981 · 207981-46-2(CAS DataBase Reference)

化学的性質

化学的特性clear light yellow liquid

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 47 reports by companies from 4 notifications to the ECHA C&L Inventory.