3-Chloropropiophenone

HCID 70295CAS 936-59-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(CCCl)c1ccccc1
InChIKey
KTJRGPZVSKWRTJ-UHFFFAOYSA-N
분자식
C9H9ClO
평균 분자량
168.62 g/mol
단동위원소 질량
168.03419259

개요

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

이름 및 식별자

우선 이름
3-Chloropropiophenone
IUPAC
3-chloro-1-phenylpropan-1-one
영어명
3-Chloropropiophenone
분자식
C9H9ClO
분자량
168.62

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.2
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
3
무거운 원자 수
11

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점
48 · 48-50 °C(lit.)
끓는 점
113 · 113-115 °C4 mm Hg(lit.)
밀도
1.1115 · 1.1115 (rough estimate)
굴절률
1.535 · 1.5350 (estimate)
인화점
230 °F · >230 °F
저장 조건
Inert atmosphere,Room Temperature

화학적 성질

faintly yellow to tan crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

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

화학 및 산업

용도 및 제조

General Manufacturing Information1-Propanone, 3-chloro-1-phenyl-: ACTIVE
응용 분야 · 2건

개요3-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.

용도3-Chloropropiophenone is an Impurity of Fluoxetine (F597100).

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
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]

관련 반응

160건
반응 기록 만들기

연결된 노트

불러오는 중…