5-クロロ-2-フルオロベンゾイルクロリド

5-Chloro-2-fluorobenzoyl chloride

HCID 2773604CAS 394-29-6

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(Cl)c1cc(Cl)ccc1F
InChIKey: VWGAATKTEAKOCO-UHFFFAOYSA-N
分子式: C7H3Cl2FO
平均分子量: 193 g/mol
単同位体質量: 191.9544983

名称と識別子

優先名称: 5-Chloro-2-fluorobenzoyl chloride
IUPAC: 5-chloro-2-fluorobenzoyl chloride
現地名: 5-クロロ-2-フルオロベンゾイルクロリド
英語名: 5-Chloro-2-fluorobenzoyl chloride
分子式: C7H3Cl2FO
分子量: 193

名称と別名

5-Chloro-2-fluorobenzoyl chloride394-29-6DTXSID70378586RefChem:102304DTXCID10329613623-605-72-fluoro-5-chlorobenzoyl chlorideMFCD016314335-Chloro-2-fluoro-benzoyl chloride5-chloro-2-fluorobenzoylchlorideBenzoyl chloride, 5-chloro-2-fluoro-Z2D3PLQ39T

名称をさらに表示

5-クロロ-2-フルオロベンゾイルクロリド塩化5-クロロ-2-フルオロベンゾイルSKL1303BUTTPARK 45\01-10Chlorofluorobenzoylchloride 52---5-Chloro-2-fluorobenzoyl chloride 97%5-Chloro-2-fluorobenzoyl chloride, 97+%

SCHEMBL284068SCHEMBL303495843-chloro-6-fluorobenzoyl chlorideVWGAATKTEAKOCO-UHFFFAOYSA-NSBB069730AKOS0052544065-Chloro-2-fluorobenzoyl chloride, 97%PS-10779

データベース識別子

CAS: 394-29-6
PubChem CID: 2773604
DTXSID: DTXSID70378586
UNII: Z2D3PLQ39T
EC Number: 623-605-7

物性

構造計算による物性

XLogP: 3.3
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: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 163

物理化学的性質

沸点: 217 · 217-218 °C(lit.)
比重(密度): 1.459 g/mL · 1.459 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.5545(lit.)
闪点: 230 °F · >230 °F
外見: fused / liquid solid
色: Pale yellow
BRN: 3247304 · 3247304
InChI: 1S/C7H3Cl2FO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
InChIKey: VWGAATKTEAKOCO-UHFFFAOYSA-N
SMILES: Fc1ccc(Cl)cc1C(Cl)=O
CAS データベース: 394 · 394-29-6(CAS DataBase Reference)

化学的性質

化学的特性Colorless Liquid

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]；H318 (83.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.