3',5'-BIS(트리플루오로메틸)-2-브로모아세토페논

3,5-Bis(trifluoromethyl)phenacyl bromide

HCID 2736170

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 131805-94-2
표준 SMILES: O=C(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: ZEKBFXJTIAEUOF-UHFFFAOYSA-N
분자식: C10H5BrF6O
평균 분자량: 335.04 g/mol
단동위원소 질량: 333.9428

이름 및 식별자

우선 이름: 3,5-Bis(trifluoromethyl)phenacyl bromide
IUPAC: 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethanone
현지명: 3',5'-BIS(트리플루오로메틸)-2-브로모아세토페논
영어명: 3',5'-BIS(TRIFLUOROMETHYL)-2-BROMOACETOPHENONE
분자식: C10H5BrF6O
분자량: 335.04

이름 및 동의어

3,5-bis(trifluoromethyl)phenacyl bromideRefChem:486557638-928-9131805-94-21-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone3',5'-Bis(trifluoromethyl)-2-bromoacetophenone1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethanone1-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Bromoethan-1-OneMFCD00792434a-Bromo-3',5'-bis(trifluoromethyl)acetophenoneEthanone, 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromo-2-bromo-1-[3,5-bis(trifluoromethyl)phenyl]ethanone

이름 더 보기

3',5'-BIS(트리플루오로메틸)-2-브로모아세토페논BUTTPARK 41\03-56Nicergoline IMp. D (EP)3,5-Bis(trifluoromethyl)phenacylbromide97%3,5-Bis(trifluoromethyl)phenacyl bromide 97%2-bromo-1-3,5-di(trifluoromethyl)phenylethylone

1-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Bromo-Ethanone3,5-bis(trifluoromethyl)phenacylbromide1-(3,5-bis(trifluoromethyl)phenyl)-2-bromoethan-1-one3,5-bistrifluoromethyl-phenacyl bromideTrifluoroBromoacetophenoneSCHEMBL6304141-(3,5-Bis-trifluoromethyl-phenyl)-2-bromo-ethanoneCHEMBL4648550

데이터베이스 식별자

CAS: 131805-94-2
PubChem CID: 2736170
DTXSID: DTXSID70371178
ChEMBL: CHEMBL4648550
EC Number: 638-928-9
Nikkaji: J2.387.956E

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 288

물리화학적 성질

녹는점: 44 · 44-46
끓는 점: 211.6 · 211.6±35.0 °C(Predicted)
밀도: 1.665 · 1.665±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；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.