2-브로모-1-(3,4-디메틸페닐)-에타논

2-Bromo-1-(3,4-dimethylphenyl)ethan-1-one

HCID 3703113CAS 2633-50-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(C(=O)CBr)cc1C
InChIKey: LTCYMNSEASALNB-UHFFFAOYSA-N
분자식: C10H11BrO
평균 분자량: 227.1 g/mol
단동위원소 질량: 225.99932707

이름 및 식별자

우선 이름: 2-Bromo-1-(3,4-dimethylphenyl)ethan-1-one
IUPAC: 2-bromo-1-(3,4-dimethylphenyl)ethanone
현지명: 2-브로모-1-(3,4-디메틸페닐)-에타논
영어명: 2-Bromo-1-(3,4-dimethyl-phenyl)-ethanone
분자식: C10H11BrO
분자량: 227.1

이름 및 동의어

2-Bromo-1-(3,4-dimethylphenyl)ethan-1-oneRefChem:465902824-357-42633-50-32-bromo-1-(3,4-dimethylphenyl)ethanone2-Bromo-1-(3,4-dimethyl-phenyl)-ethanoneMFCD004608602-bromo-3',4'-dimethylacetophenoneEthanone, 2-bromo-1-(3,4-dimethylphenyl)-Enamine_0051573,4-dimethyl-phenacylbromide3,4-dimethylphenacyl bromide

이름 더 보기

2-브로모-1-(3,4-디메틸페닐)-에타논

3,4-dimethyl phenacyl bromide3,4-dimethyl-phenacyl bromideSCHEMBL1726590SCHEMBL30187429DTXSID20395263LTCYMNSEASALNB-UHFFFAOYSA-NHMS1408K09CAA63350

데이터베이스 식별자

CAS: 2633-50-3
PubChem CID: 3703113
DTXSID: DTXSID20395263
EC Number: 824-357-4

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 167

물리화학적 성질

녹는점: 65 °C · 65 °C
끓는 점: 292.6 · 292.6±25.0 °C(Predicted)
밀도: 1.362 · 1.362±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.