p-Bromopropiophenone

HCID 66312CAS 10342-83-3

기본 정보

표준 SMILES: CCC(=O)c1ccc(Br)cc1
InChIKey: UOMOSYFPKGQIKI-UHFFFAOYSA-N
분자식: C9H9BrO
평균 분자량: 213.07 g/mol
단동위원소 질량: 211.98367701

이름 및 식별자

우선 이름: p-Bromopropiophenone
IUPAC: 1-(4-bromophenyl)propan-1-one
영어명: 4'-Bromopropiophenone
분자식: C9H9BrO
분자량: 213.07

이름 및 동의어

4'-Bromopropiophenone10342-83-3p-Bromopropiophenone1-Propanone, 1-(4-bromophenyl)-Propiophenone, 4'-bromo-EINECS 233-745-7DTXSID10145830NSC 83574RefChem:858014DTXCID4068321Propiophenone, 4'-bromo-(8CI)1-Propanone, 1-(4-bromophenyl)-(9CI)

이름 더 보기

AURORA 22532p-Brompropiophenon4'-broMo benzeneacetoneThe broMobenzene acetone4'-Bromopropiophenone 98%

233-745-71-(4-bromophenyl)propan-1-one4-Bromopropiophenone1-(4-Bromophenyl)-1-propanone4-BROMOPHENYL ETHYL KETONEMFCD000001064'-bromopropiophenon1-bromo-4-propionylbenzene

데이터베이스 식별자

CAS: 10342-83-3
PubChem CID: 66312
DTXSID: DTXSID10145830
UNII: Q8EVM78HH6
EC Number: 233-745-7
Nikkaji: J45.208D

물성

구조 계산 물성

XLogP: 3.1
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: 136

물리화학적 성질

녹는점: 45 · 45-47 °C(lit.)
끓는 점: 138 · 138-140 °C14 mm Hg(lit.)
밀도: 1.3841 · 1.3841 (rough estimate)
굴절률: 1.572 · 1.5720 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨), 메탄올
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 1210311 · 1210311
InChI: InChI=1S/C9H9BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey: UOMOSYFPKGQIKI-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Br)C=C1)(=O)CC
NIST: 1 · 1-Propanone, 1-(4-bromophenyl)-(10342-83-3)

화학적 성질

white to light yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90.9%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)

안전 데이터

wgk: 3
HS 번호: 29147000
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

개요4'-Bromopropiophenone is used as a raw material for organic synthesis or as a pharmaceutical intermediate reagent. The 4′-Bromopropiophenone can be employed as a starting material for synthesising novel 5-substituted pyrazole derivatives via Suzuki-type coupling with alkenes. These derivatives function as potent CB1 antagonists exhibiting binding affinities comparable to SR 141716A, presenting potential as therapeutic agents for obesity.