3'-브로모프로피오페논

1-Propanone, 1-(3-bromophenyl)-

HCID 88272

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 19829-31-3
표준 SMILES: CCC(=O)c1cccc(Br)c1
InChIKey: QSHLXVTVXQTHBS-UHFFFAOYSA-N
분자식: C9H9BrO
평균 분자량: 213.07 g/mol
단동위원소 질량: 211.98368

이름 및 식별자

우선 이름: 1-Propanone, 1-(3-bromophenyl)-
IUPAC: 1-(3-bromophenyl)propan-1-one
현지명: 3'-브로모프로피오페논
영어명: 3'-Bromopropiophenone
분자식: C9H9BrO
분자량: 213.07

이름 및 동의어

19829-31-31-Propanone, 1-(3-bromophenyl)-m-Bromopropiophenone1-(3-Bromophenyl)-1-propanoneEINECS 243-353-8DTXSID5066536RefChem:436292DTXCID7036165243-353-83'-Bromopropiophenone1-(3-bromophenyl)propan-1-one3-BROMOPHENYL ETHYL KETONE

이름 더 보기

3'-브로모프로피오페논3-BROMOPROPIOPHENONELABOTEST-BB LT01143368Bupropion MBPP Impurity3'-Bromopropiophenone >3'-Bromopropiophenone,98%3''-BROMOPROPIOPHENONE 98%

MFCD00000084QSHLXVTVXQTHBS-UHFFFAOYSA-3 inverted exclamation mark -Bromopropiophenone3 inverted exclamation marka-Bromopropiophenone1-(3-Bromophenyl)-1-propanone; 3'-Bromopropiophenone; 3-Bromophenyl Ethyl Ketone; m-Bromopropiophenone3`-Bromopropiophenone87RBK6TN9W3'-Bromopropiophenone, 96%

데이터베이스 식별자

CAS: 19829-31-3
PubChem CID: 88272
DTXSID: DTXSID5066536
UNII: 87RBK6TN9W
EC Number: 243-353-8
Nikkaji: J225.298H

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 144

물리화학적 성질

녹는점: 39 · 39-41 °C(lit.)
끓는 점: 144 · 144-145°C 20mm
밀도: 1.3841 · 1.3841 (rough estimate)
굴절률: 1.546 · 1.5460 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태: powder to crystal
색상: White to Orange to Green
BRN: 1936736 · 1936736
InChI: 1S/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey: QSHLXVTVXQTHBS-UHFFFAOYSA-N
SMILES: CCC(=O)c1cccc(Br)c1
EPA: 1 · 1-Propanone, 1-(3-bromophenyl)- (19829-31-3)

화학적 성질

white to light yellow crystalline

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (20%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1-Propanone, 1-(3-bromophenyl)-: INACTIVE

응용 분야

용도3′-Bromopropiophenone was used in the synthesis of o-, m- and p- isomers of (±)-2-[3-(hydroxybenzoyl)phenyl] propanoic acid. It was also used in the synthesis of 2-(methylamino)-1-(3-bromophenyl)propan-1-one.