3-クロロプロピオフェノン

3-Chloropropiophenone

HCID 70295CAS 936-59-4
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(CCCl)c1ccccc1
InChIKey
KTJRGPZVSKWRTJ-UHFFFAOYSA-N
分子式
C9H9ClO
平均分子量
168.62 g/mol
単同位体質量
168.03419259

概要

3-chloro-1-phenyl-1-propanone is a member of acetophenones and an organochlorine compound.

名称と識別子

優先名称
3-Chloropropiophenone
IUPAC
3-chloro-1-phenylpropan-1-one
現地名
3-クロロプロピオフェノン
英語名
3-Chloropropiophenone
分子式
C9H9ClO
分子量
168.62

名称と別名

3-Chloropropiophenone936-59-43-chloro-1-phenylpropan-1-one1-Propanone, 3-chloro-1-phenyl-3-Chloro-1-phenyl-1-propanonePropiophenone, 3-chloro-WBZ9Q23H2TNSC-37238NSC-227202DTXSID5061324RefChem:436338DTXCID7048877
名称をさらに表示
3-クロロプロピオフェノン3-クロロプロピオニルベンゼンβ-クロロプロピオフェノン1-フェニル-3-クロロ-1-プロパノンω-クロロプロピオフェノン(3-クロロプロピオニル)ベンゼン2-クロロ-1-ベンゾイルエタン3-クロロ-1-フェニル-1-プロパノンB-CHLOROPROPIOPHENONENSC 37238NSC 227202JACS-936-59-4oropropiophenoneβ-Chlorpropiophenoná-chloropropiophenone
213-317-6beta-Chloropropiophenone2-Chloroethyl phenyl ketone3-Chloropropanophenone.beta.-Chloropropiophenone3-Chloro-1-Phenyl-Propan-1-OneMFCD00000990ss-chloropropiophenone

データベース識別子

CAS
936-59-4
PubChem CID
70295
DTXSID
DTXSID5061324
ChEBI
CHEBI:232113
UNII
WBZ9Q23H2T
EC Number
213-317-6
Nikkaji
J31.121I

物性

構造計算による物性

XLogP
2.2
極性表面積
17.1 Ų
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
3
重原子数
11

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
48 · 48-50 °C(lit.)
沸点
113 · 113-115 °C4 mm Hg(lit.)
比重(密度)
1.1115 · 1.1115 (rough estimate)
屈折率
1.535 · 1.5350 (estimate)
闪点
230 °F · >230 °F
貯蔵温度
Inert atmosphere,Room Temperature

化学的性質

化学的特性faintly yellow to tan crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 8.3% (1 of 12) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 12 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 05-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18688
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29147000
risk_code
36/37/38
hazard_code
Xi
safety_code
37/39-26-24/25

化学と産業

用途と製造

General Manufacturing Information1-Propanone, 3-chloro-1-phenyl-: ACTIVE
応用分野 · 3 件

用途有機合成原料。

説明3-Chloropropiophenone is a chiral compound that is used as an antidepressant drug. It was first synthesized in the 1950s and has been studied extensively for its pharmacological effects. It is a racemic mixture of two enantiomers, one of which is active and the other inactive. The active enantiomer binds to serotonin receptors and inhibits the reuptake of serotonin, which leads to an increase in serotonin levels. The inactive enantiomer does not bind to serotonin receptors and does not inhibit the reuptake of serotonin. 3-Chloropropiophenone has been shown to be effective when administered at an optimum concentration of 5 milligrams per kilogram body weight.

使用3-Chloropropiophenone is an Impurity of Fluoxetine (F597100).

上流・下流製品情報

サプライヤー50 社

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韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

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