1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethan-1-one

HCID 2758231

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 130336-16-2
표준 SMILES: O=C(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIKey: DZDSQRPDUCSOQV-UHFFFAOYSA-N
분자식: C8H3Cl2F3O
평균 분자량: 243.01 g/mol
단동위원소 질량: 241.95130474

이름 및 식별자

우선 이름: 1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethan-1-one
IUPAC: 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone
영어명: 3',5'-DICHLORO-2,2,2-TRIFLUOROACETOPHENONE
분자식: C8H3Cl2F3O
분자량: 243.01

이름 및 동의어

1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone1-(3,5-DICHLOROPHENYL)-2,2,2-TRIFLUOROETHAN-1-ONEEC 675-511-0RefChem:422897675-511-0130336-16-23',5'-Dichloro-2,2,2-trifluoroacetophenoneMFCD013199961-(3,5-dichloro-phenyl)-2,2,2-trifluoro-ethanone3,5-Dichloro-2',2',2'-trifluoroacetophenoneSY041239CS-0035131

이름 더 보기

5-DICHLORO-2uoroethanone1-(3,5-DichL)-2,2,2-trifLFluralaner-002Acetophenone673Fluralaner Impurity 282-TRIFLUOROACETOPHENONE

D5113EN300-2682551-(3,5-Dichloro-phenyl)-2,2,2-trifluoroethanone1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone; 1-(3',5'-Dichlorophenyl)-2,2,2-trifluoroethanone; 3',5'-Dichloro-2,2,2-trifluoroacetophenone; 1-(3,5-Dichlorophenyl)-2,2,2-trifluoro-ethanone;BCP069011-(3,5-dichlorophSCHEMBL44147DTXSID20374230

데이터베이스 식별자

CAS: 130336-16-2
PubChem CID: 2758231
DTXSID: DTXSID20374230
EC Number: 675-511-0
Nikkaji: J935.754H

물성

구조 계산 물성

XLogP: 4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 219

실험 및 물리화학적 성질

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

물리화학적 성질

끓는 점: 265 ℃ · 265℃
밀도: 1.506 · 1.506
굴절률: 1.498 to · 1.4980 to 1.5020
인화점: 114 ℃ · 114℃
저장 조건: Sealed in dry,Room Temperature
용해도: 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색
InChI: InChI=1S/C8H3Cl2F3O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H
InChIKey: DZDSQRPDUCSOQV-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC(Cl)=CC(Cl)=C1)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 28-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17248

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

HS 번호: 2914790090
risk_code: 36/37/38
safety_code: 26-36/37/39

화학 및 산업

응용 분야

용도3'',5''-Dichloro-2,2,2-trifluoroacetophenone is a reagent used for enantioselective preparation of benzazephinoindoles bearing trifluoromethylated quaternary stereocenters catalyzed by chiral spirocyclic phosphoric acids