4'-Chloropropiophenone (HCID 22697)

名称と識別子

優先名称: 4'-Chloropropiophenone
IUPAC: 1-(4-chlorophenyl)propan-1-one
現地名: 4'-クロロプロピオフェノン
英語名: 4'-Chloropropiophenone
分子式: C9H9ClO
分子量: 168.62

名称と別名

4'-Chloropropiophenonep-Chloropropiophenone4-Chloropropiophenone1-Propanone, 1-(4-chlorophenyl)-PROPIOPHENONE, 4'-CHLORO-Ethyl p-chlorophenyl ketonePropiophenone, p-chloro-Ethyl 4-chlorophenyl ketoneUSAF EK-52961-(4-Chlorophenyl)-1-propanoneDTXSID1048203NSC 5600

名称をさらに表示

4'-クロロプロピオフェノンp-クロロプロピオフェノン1-プロピオニル-4-クロロベンゼン1-(4-クロロフェニル)-1-プロパノン4-クロロフェニルエチルケトン4’-クロロプロピオンフェノン4′-クロロプロピオフェノン4′‐クロロプロピオフェノン1-(4-CHLOROPHENYL)PROPAN-2-ONEchloropropiophenone1-(4-CHLORO-PHENYL)-PROPAN-1-ONEusafek-5296AKOS B0285674-chlorophenone4 '-chloroacetoneART-CHEM-BB B028567

26AY8WJA1E1-(4-chlorophenyl)propane-1-oneNSC-5600EINECS 228-511-6UNII-26AY8WJA1EBRN 1100638AI3-23870DTXCID9028178

データベース識別子

CAS: 6285-05-8
PubChem CID: 22697
DTXSID: DTXSID1048203
ChEMBL: CHEMBL2251218
UNII: 26AY8WJA1E
EC Number: 228-511-6
Nikkaji: J34.493A

物性

構造計算による物性

XLogP: 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: 1
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

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

融点: 35 · 35-37 °C(lit.)
沸点: 95 · 95-97 °C1 mm Hg(lit.)
比重(密度): 1.151 · 1.151
屈折率: 1.5325 · 1.5325-1.5345
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: powder to crystal
色: White to Almost white
水溶解度: 不溶性
BRN: 1100638 · 1100638
InChI: InChI=1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey: ADCYRBXQAJXJTD-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Cl)C=C1)(=O)CC
LogP: 2.4 · 2.4
CAS データベース: 6285 · 6285-05-8(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Propanone, 1-(4-chlorophenyl)-(6285-05-8)
EPAの化学物質情報: 1 · 1-Propanone, 1-(4-chlorophenyl)- (6285-05-8)

化学的性質

化学的特性CRYSTALLINE MASS

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 19-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34022

1-Propanone, 1-(4-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: UG9275000
hs_code: 29147000
risk_code: 36/37/38
化審法: (3)-3817
hazard_code: Xi
safety_code: 37/39-26-24/25
packing_group: II
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information1-Propanone, 1-(4-chlorophenyl)-: INACTIVE

応用分野

用途有機合成原料。

使用4'-Chloropropiophenone is a chemical raw material and pharmaceutical intermediate with important application value. It has very important applications in modern pharmaceutical, chemical and biological fields.