4'-BroMo-2',5'-디플루오로아세토페논

1-(4-Bromo-2,5-difluorophenyl)ethan-1-one

HCID 9991653

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 123942-11-0
표준 SMILES: CC(=O)c1cc(F)c(Br)cc1F
InChIKey: JPTNTBSBJPCXGI-UHFFFAOYSA-N
분자식: C8H5BrF2O
평균 분자량: 235.02 g/mol

이름 및 식별자

우선 이름: 1-(4-Bromo-2,5-difluorophenyl)ethan-1-one
IUPAC: 1-(4-bromo-2,5-difluorophenyl)ethanone
현지명: 4'-BroMo-2',5'-디플루오로아세토페논
영어명: 4'-BroMo-2',5'-difluoroacetophenone
분자식: C8H5BrF2O
분자량: 235.03

이름 및 동의어

123942-11-01-(4-BROMO-2,5-DIFLUOROPHENYL)ETHAN-1-ONERefChem:424849816-706-41-(4-BROMO-2,5-DIFLUOROPHENYL)ETHANONE4'-bromo-2',5'-difluoroacetophenone4-bromo-2,5-difluoroacetophenoneMFCD155268961-(4-bromo-2,5-difluoro-phenyl)ethanoneSCHEMBL49494994'-bromo-2 ',5'-difluoroacetophenoneAC-9435

이름 더 보기

4'-BroMo-2',5'-디플루오로아세토페논1-(4-bromo-2,5-difluorophenyl)ethylone4'-BroMo-2',5'-difluoroacetophenone, 96%Ethanone, 1-(4-bromo-2,5-difluorophenyl)-4-Chloro-6-(trifluoromethyl)pyridin-5-amine1-(4-Bromo-2,5-difluorophenyl)ethan-1-one - [B93188]

PS-10134SY215857EN300-2998604 inverted exclamation mark -Bromo-2 inverted exclamation mark ,5 inverted exclamation mark -difluoroacetophenoneSCHEMBL30204393JPTNTBSBJPCXGI-UHFFFAOYSA-NYEA94211AKOS013532620

데이터베이스 식별자

CAS: 123942-11-0
PubChem CID: 9991653
EC Number: 816-706-4
Nikkaji: J686.926B

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 186

물리화학적 성질

끓는 점: 258.9 · 258.9±40.0 °C(Predicted)
밀도: 1.614 · 1.614±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
물리적 상태: 고체
색상: Faint Orange ( powder)
InChI: InChI=1S/C8H5BrF2O/c1-4(12)5-2-8(11)6(9)3-7(5)10/h2-3H,1H3
InChIKey: JPTNTBSBJPCXGI-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC(F)=C(Br)C=C1F)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.