4'-브로모-3'-메틸아세토페논

1-(4-Bromo-3-methylphenyl)ethanone

HCID 347124CAS 37074-40-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1ccc(Br)c(C)c1
InChIKey: QRTFRIPKQPOIPI-UHFFFAOYSA-N
분자식: C9H9BrO
평균 분자량: 213.07 g/mol
단동위원소 질량: 211.98367701

이름 및 식별자

우선 이름: 1-(4-Bromo-3-methylphenyl)ethanone
IUPAC: 1-(4-bromo-3-methylphenyl)ethanone
현지명: 4'-브로모-3'-메틸아세토페논
영어명: 4'-Bromo-3'-methylacetophenone
분자식: C9H9BrO
분자량: 213.07

이름 및 동의어

1-(4-bromo-3-methylphenyl)ethanoneDTXSID70324063RefChem:424922DTXCID50275180864-619-537074-40-14'-bromo-3'-methylacetophenone1-(4-bromo-3-methylphenyl)ethan-1-oneMFCD00045017NSC405623Ethanone, 1-(4-bromo-3-methylphenyl)-SCHEMBL588574

이름 더 보기

4'-브로모-3'-메틸아세토페논Fluralaner Impurity 293-Methyl-4-bromoacetophenoneNSC 405623Fluralaner-0034-Bromo-3-methylacetophenone4-bromo-3-methylbenzenethylone

SCHEMBL29784872QRTFRIPKQPOIPI-UHFFFAOYSA-N1-(4-bromo-3-methyl-phenyl)ethanoneAKOS000299252FB70251NSC-4056231-(4-bromo-3-methyl-phenyl)-ethanone4'-Bromo-3'-methylacetophenone, 75%

데이터베이스 식별자

CAS: 37074-40-1
PubChem CID: 347124
DTXSID: DTXSID70324063
EC Number: 864-619-5

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 156

물리화학적 성질

녹는점: 31 · 31-32 °C
끓는 점: 157 · 157-159 °C(Press: 19 Torr)
밀도: 1.388 · 1.388±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 융합된 고체
색상: Pale lemon

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 2 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2914390090

화학 및 산업

응용 분야

용도4'-Bromo-3'-methylacetophenone is a versatile building block that is used in the synthesis of many complex compounds. It can be used as a reactant, reagent, or speciality chemical.