3'-Chloropropiophenone

HCID 587128CAS 34841-35-5

기본 정보

표준 SMILES
CCC(=O)c1cccc(Cl)c1
InChIKey
PQWGFUFROKIJBO-UHFFFAOYSA-N
분자식
C9H9ClO
평균 분자량
168.62 g/mol
단동위원소 질량
168.03419259

이름 및 식별자

우선 이름
3'-Chloropropiophenone
IUPAC
1-(3-chlorophenyl)propan-1-one
영어명
3'-Chloropropiophenone
분자식
C9H9ClO
분자량
168.62

이름 및 동의어

3'-Chloropropiophenone34841-35-5m-Chloropropiophenone3-Chlorophenyl Ethyl Ketone1-Propanone, 1-(3-chlorophenyl)-chloropropiophenoneDTXSID10492771-(3-Chlorophenyl)-1-propanoneEINECS 252-242-32697RI8Z48DTXCID0029133EC 252-242-3
이름 더 보기
MCPP3&priMe3-chlorophenone3'-chloroacetoneM-ChloroProiophenone3'-ChloropropiophenoBupropion Impurity 22Bupropion Impurity 48
PROPIOPHENONE, 3'-CHLORO-CHLOROPROPIOPHENONE [USP-RS]CHLOROPROPIOPHENONE [USP IMPURITY]CHLOROPROPIOPHENONE (USP-RS)CHLOROPROPIOPHENONE (USP IMPURITY)RefChem:484673252-242-31-(3-chlorophenyl)propan-1-one

데이터베이스 식별자

CAS
34841-35-5
PubChem CID
587128
DTXSID
DTXSID1049277
ChEMBL
CHEMBL2251583
UNII
2697RI8Z48
EC Number
252-242-3
Nikkaji
J150.097J

물성

구조 계산 물성

XLogP
3
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
11

물리화학적 성질

녹는점
45 · 45-47 °C(lit.)
끓는 점
124 °C14 · 124 °C14 mm Hg(lit.)
밀도
1.1115 · 1.1115 (rough estimate)
굴절률
1.535 · 1.5350 (estimate)
인화점
230 °F · >230 °F
저장 조건
Sealed in dry,Room Temperature

화학적 성질

WHITE TO LIGHT YELLOW CRYSTALLINE SOLID

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 81.8% (9 of 11) of all reports.

Warning

H315 (18.2%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 11 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 20-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11873
Hazard Classes and CategoriesSkin Irrit. 2 (18.2%)

안전 데이터

wgk
3
HS 번호
29147000
risk_code
36/37/38
hazard_code
Xi
safety_code
37/39-26-24/25
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요Influence of solvents and temperature on the yield and enantioselectivity of the phenylation of 3′-chloropropiophenone has been investigated.

용도3'-Chloropropiophenone is a reagent used in the vinylation, alkylation and dienylation of ketones. It is also used in the preparation of thizaine derivatives that show antibacterial activity.

일반 설명3'-Chloropropiophenone is a key intermediate in drug synthesis, mainly used to prepare various pharmaceutical compounds such as the antidepressant bupropion, dapoxetine, and the anti-AIDS drug maraviro.

제조 방법 · 1건

4.86 g (0.2 mol) of magnesium turnings, 30 ml of dry diethyl ether and a grain of iodine are placed in a one liter three-necked round-bottomed flask equipped with a condenser, a calcium chloride drying tube, a pressure equalizing funnel and a magnetic stirrer; the flask is purged with nitrogen, and 21.8 g (0.2 mol) of ethyl bromide in 30 ml of dry diethyl ether are then added. The mixture is then heated under reflux for one hour and left to cool. At ambient temperature, 16.51 g (0.12 mol) of 3-chlorobenzonitrile in 70 ml of dry diethyl ether are then added. A copious precipitate forms. The mixture is stirred overnight at ambient temperture and then cooled in an ice bath and hydrolysed by slowly adding 50 ml of water and then about 100 ml of 6N hydrochloric acid until the pH is acid. The mixture is stirred for one and a half hours and then extracted with ethyl acetate. The organic extract is then washed twice with water, dried and concentrated on a rotary evaporator. This gives 26 g of an orange oil, which is concentrated in vacuo to give about 18.2 g of ochre crystals of 3'-chloropropiophenone melting at about 40° C.Literature source US04690931

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东科研制药有限公司13053388919

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19건

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