4-フルオロフェニルアセチルクロリド

4-Fluorophenylacetyl chloride

HCID 3744988

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 459-04-1
標準SMILES: O=C(Cl)Cc1ccc(F)cc1
InChIKey: SIOJFYRPBYGHOO-UHFFFAOYSA-N
分子式: C8H6ClFO
平均分子量: 172.58 g/mol
単同位体質量: 172.0091207

名称と識別子

優先名称: 4-Fluorophenylacetyl chloride
IUPAC: 2-(4-fluorophenyl)acetyl chloride
現地名: 4-フルオロフェニルアセチルクロリド
英語名: 4-Fluorophenylacetyl chloride
分子式: C8H6ClFO
分子量: 172.58

名称と別名

4-Fluorophenylacetyl chloride459-04-12-(4-fluorophenyl)acetyl chlorideDTXSID30395835RefChem:523459DTXCID20346694628-331-14-fluorophenylacetylchloride4-fluorophenacetyl chloride4-fluorobenzeneacetyl chlorideMFCD00674181(4-Fluorophenyl)acetyl chloride

名称をさらに表示

4-フルオロフェニルアセチルクロリドP-フルオロフェニルアセチル=クロリド4-フルオロフェニルアセチルクロリド, 97%4-フルオロフェニルアセチルクロライドSKL1297Of fluorobenzene chloride4-fluorophenylacethyl chloride4-fluorobenzencacetyl chloride4-FLUOROPHENYLACETYL CHLORIDE 99%

p-fluorophenylacetyl chloride4-fluoro phenylacetyl chlorideBenzeneacetyl chloride, 4-fluoro-4fluorophenylacetyl chlorideSCHEMBL108765(4-fluorophenyl)acetylchloride4-fluorophenyl acetyl chloride4-fluorophenyl-acetyl chloride

データベース識別子

CAS: 459-04-1
PubChem CID: 3744988
DTXSID: DTXSID30395835
EC Number: 628-331-1
Nikkaji: J1.785.550F

物性

構造計算による物性

XLogP: 2.5
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: 2
重原子数: 11
形式電荷: 0
複雑度: 141

物理化学的性質

融点: 47 · 47-48
沸点: 60 °C/8 · 60 °C/8 mmHg (lit.)
比重(密度): 1.259 g/mL · 1.259 g/mL at 25 °C (lit.)
屈折率: 1.511 · 1.511-1.513
闪点: 107 °C · 107 °C
貯蔵温度: 2 · 2-8°C
溶解性: ジクロロメタンと混和します。
外見: 液体
比重: 1.259 · 1.259
色: クリアイエロー
BRN: 972148 · 972148
InChI: 1S/C8H6ClFO/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey: SIOJFYRPBYGHOO-UHFFFAOYSA-N
SMILES: Fc1ccc(CC(Cl)=O)cc1
CAS データベース: 459 · 459-04-1(CAS DataBase Reference)

化学的性質

化学的特性clear yellow 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 (86.7%): 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 45 reports by companies from 3 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.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (86.7%)

安全データ

wgk: 3
ridadr: 3265
hs_code: 29163990
risk_code: 34-29-14
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 45-36/37/39-26-27
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野

使用4-Fluorophenylacetyl chloride is used as an acylating agent in organic synthesis. It is used to prepare monoacylated pyrazolidine by reacting with pyrazolidine. It is also used in the preparation of N-acyl isothiouronium chloride.