2-브로모-3-메틸아세토페논

2-Bromo-1-(3-methylphenyl)ethan-1-one

HCID 10036129CAS 51012-64-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccc(C(=O)CBr)c1
InChIKey: BANFRNTVKCHZDE-UHFFFAOYSA-N
분자식: C9H9BrO
평균 분자량: 213.07 g/mol
단동위원소 질량: 211.98367701

이름 및 식별자

우선 이름: 2-Bromo-1-(3-methylphenyl)ethan-1-one
IUPAC: 2-bromo-1-(3-methylphenyl)ethanone
현지명: 2-브로모-3-메틸아세토페논
영어명: 2-bromo-3-methylacetophenone
분자식: C9H9BrO
분자량: 213.07

이름 및 동의어

51012-64-72-bromo-1-(3-methylphenyl)ethan-1-oneDTXSID40434522RefChem:256815DTXCID40385348817-508-02-Bromo-1-(m-tolyl)ethanone2-bromo-1-(3-methylphenyl)ethanone2-bromo-1-m-tolylethanone2-bromo-3-methylacetophenone2-Bromo-1-m-tolyl-ethanone2-bromo-1-(m-tolyl)ethan-1-one

이름 더 보기

2-브로모-3-메틸아세토페논2-Bromo-1-(m-tolyl)Zolpidem Impurity 37Zolpidem Acid Impurity 62-bromo-1-(3-methylphenyl)ethyloneEthanone, 2-broMo-1-(3-Methylphenyl)-

MFCD073642692-bromo-3'-methylacetophenone2-bromo-3'methylacetophenoneAKOS009359247SY022880CS-01532301-bromo-2-(3-methylphenyl)-2-oxoethane3-methylphenacyl bromide

데이터베이스 식별자

CAS: 51012-64-7
PubChem CID: 10036129
DTXSID: DTXSID40434522
EC Number: 817-508-0
Nikkaji: J2.400.405H

물성

구조 계산 물성

XLogP: 2.8
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

끓는 점: 120 · 120-122 °C(Press: 1.5 Torr)
밀도: 1.416 · 1.416±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C9H9BrO/c1-7-3-2-4-8(5-7)9(11)6-10/h2-5H,6H2,1H3
InChIKey: BANFRNTVKCHZDE-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CC(C)=C1)CBr

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

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