2-브로모-4-클로로아세토펜온

1-(2-Bromo-4-chlorophenyl)ethanone

HCID 4712644

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 825-40-1
표준 SMILES: CC(=O)c1ccc(Cl)cc1Br
InChIKey: URBATMJMOGHOCE-UHFFFAOYSA-N
분자식: C8H6BrClO
평균 분자량: 233.49 g/mol
단동위원소 질량: 231.92906

이름 및 식별자

우선 이름: 1-(2-Bromo-4-chlorophenyl)ethanone
IUPAC: 1-(2-bromo-4-chlorophenyl)ethanone
현지명: 2-브로모-4-클로로아세토펜온
영어명: 2-Bromo-4'-chloroacetophenone
분자식: C8H6BrClO
분자량: 233.49

이름 및 동의어

1-(2-bromo-4-chlorophenyl)ethanone825-40-1DTXSID80405736RefChem:223210DTXCID903565882-Bromo-4-chloroacetophenone4-acetyl-3-bromo-1-chlorobenzene1-(2-bromo-4-chlorophenyl)ethan-1-oneMFCD026830632'-BROMO-4'-CHLOROACETOPHENONEEthanone, 1-(2-bromo-4-chlorophenyl)-SCHEMBL616449

이름 더 보기

2-브로모-4-클로로아세토펜온2-Bromo-4'-chloroacetophenone2’-Bromo-4’-chloroacetophenone1-(2-BROMO-4-CHLORO-PHENYL)-ETHANONE

Ethanone,1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-chloro-phenyl)ethanoneSCHEMBL7576795SCHEMBL29526339URBATMJMOGHOCE-UHFFFAOYSA-NAKOS015891315CS-W004840AC-28641

데이터베이스 식별자

CAS: 825-40-1
PubChem CID: 4712644
DTXSID: DTXSID80405736
EC Number: 672-231-0

물성

구조 계산 물성

XLogP: 2.9
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: 160

물리화학적 성질

녹는점: 44 °C · 44 °C
끓는 점: 145 °C · 145 °C(Press: 12 Torr)
밀도: 1.566 · 1.566±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
InChI: InChI=1S/C8H6BrClO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3
InChIKey: URBATMJMOGHOCE-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(Cl)C=C1Br)C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.