CAS 459-03-0 (4-Fluorophenyl)acetone (HCID 521187)

名称と識別子

優先名称: (4-Fluorophenyl)acetone
IUPAC: 1-(4-fluorophenyl)propan-2-one
現地名: (4-フルオロフェニル)アセトン
英語名: (4-Fluorophenyl)acetone
分子式: C9H9FO
分子量: 152.17

名称と別名

459-03-0(4-Fluorophenyl)acetone2-Propanone, 1-(4-fluorophenyl)-EINECS 207-284-7DTXSID701966412-Propanone, 1-[4-fluorophenyl]-4FluorophenylacetoneRefChem:69479DTXCID10119132207-284-7ZUEKIIWSVFBTCM-UHFFFAOYSA-N4-Fluorophenylacetone

名称をさらに表示

(4-フルオロフェニル)アセトン4-フルオロフェニルアセトン1-(4-フルオロフェニル)-2-プロパノン1-(4-フルオロフェニル)アセトン1-(2-オキソプロピル)-4-フルオロベンゼン(P-フルオロフェニル)アセトン1-(4-フルオロフェニル)プロパン-2-オンcas 459-03-02-Propanone, 1-(44'-FLUOROPHENYLACETONE4-Fluorophenylacetone98%4-Fluorophenylacetone 98%4-Fluorophenylacetone,99%4-Fluorophenylacetone pmk

1-(4-fluorophenyl)propan-2-one1-(4-Fluorophenyl)acetoneMFCD000003621-(4-fluorophenyl)-2-propanone(p-fluorophenyl)acetone1-Acetonyl-4-fluorobenzene(4-fluorophenyl) acetoneSCHEMBL48545

データベース識別子

CAS: 459-03-0
PubChem CID: 521187
DTXSID: DTXSID70196641
EC Number: 207-284-7
Nikkaji: J196.173J

物性

構造計算による物性

XLogP: 1.9
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: 136

実験および物理化学的性質

Physical DescriptionColorless or yellow liquid; [Alfa Aesar MSDS]

物理化学的性質

沸点: 106 · 106-107 °C/18 mmHg (lit.)
比重(密度): 1.139 g/mL · 1.139 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.496(lit.)
闪点: 197 °F · 197 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 50 mg/ml · Methyl Acetate: 50 mg/ml
外見: clear liquid
色: Light yellow to Yellow to Orange
比重: 1.139 · 1.139
水溶解度: 不溶性
BRN: 1936697 · 1936697
InChI: InChI=1S/C9H9FO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3
InChIKey: ZUEKIIWSVFBTCM-UHFFFAOYSA-N
SMILES: C(C1=CC=C(F)C=C1)C(=O)C
CAS データベース: 459 · 459-03-0(CAS DataBase Reference)
NISTの化学物質情報: (4-Fluorophenyl)acetone(459-03-0)

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

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Chloroacetone.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1B (50%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 29147090
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: F,Xi
hazard_note: Flammable
safety_code: 24/25
hazard_class: IRRITANT, FLAMMABLE
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

説明This intermediate, also known as (4-Fluorophenyl)acetone, presents as a dark yellow liquid. It is known to be insoluble in water. For best results, store in a tightly closed container in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. 4-Fluorophenylacetone is incompatible with strong oxidizing agents. This chemical is a combustible liquid.

使用4-Fluorophenylacetone is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields. It is a haloarylacetone derivative used in a study of reversed enantiopreference of an ω-transaminase by a single-point mutation.