1-(3,5-디클로로-4-플루오로페닐)-2,2,2-트리플루오로에타논

1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone

HCID 75530023CAS 1190865-44-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(c1cc(Cl)c(F)c(Cl)c1)C(F)(F)F
InChIKey: NSWPERXXSPCRCT-UHFFFAOYSA-N
분자식: C8H2Cl2F4O
평균 분자량: 261 g/mol
단동위원소 질량: 259.94188292

이름 및 식별자

우선 이름: 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone
IUPAC: 1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone
현지명: 1-(3,5-디클로로-4-플루오로페닐)-2,2,2-트리플루오로에타논
영어명: 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone
분자식: C8H2Cl2F4O
분자량: 261.0004928

이름 및 동의어

1190865-44-11-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-oneDTXSID101204874RefChem:422887DTXCID101636293829-719-5939-298-03',5'-Dichloro-2,2,2,4'-tetrafluoroacetophenone1-(3,5-Dichloro-4-fluoro-phenyl)-2,2,2-trifluoroethanoneMFCD233825071-(3,5-dichloro-4-fluoro-phenyl)-2,2,2-trifluoro-ethanone

이름 더 보기

1-(3,5-디클로로-4-플루오로페닐)-2,2,2-트리플루오로에타논Sealed in dry,Room Temperature2,2,2-Trifluoro-3',5'-dichloro-4'-fluoroacetophenone1-(3,5-Dichloro-4-fluoropheny)-2,2,2-trifluoroethanone1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-one (Sarolaner intermediate）1-(3,5-dichloroChemicalbook-4-fluorophenyl)-2,2,2-trifluoroethan-1-one(Sarolanerintermediate）1(3,5Dichloro4fluorophenyl)2,2,2trifluoroethanone,1 (3,5 Dichloro 4 fluorophenyl) 2,2,2 trifluoroethanone

Ethanone, 1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoro-C8H2Cl2F4OSarolaner intermediateorb1297912orb1940156SCHEMBL12097462AKOS017344692DS-9995

데이터베이스 식별자

CAS: 1190865-44-1
PubChem CID: 75530023
DTXSID: DTXSID101204874
EC Number: 829-719-5、939-298-0

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 244

물리화학적 성질

끓는 점: 282.5 · 282.5±40.0 °C(Predicted)
밀도: 1.577 · 1.577±0.06 g/cm3(Predicted)
증기압: 20 · 20-2750Pa at 20-37.8℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
InChI: InChI=1S/C8H2Cl2F4O/c9-4-1-3(2-5(10)6(4)11)7(15)8(12,13)14/h1-2H
InChIKey: NSWPERXXSPCRCT-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC(Cl)=C(F)C(Cl)=C1)C(F)(F)F
LogP: 2.57 · 2.57
표면장력: 61.3 mN/m · 61.3mN/m at 1g/L and 20℃

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P280, P301+P316, P301+P317, P302+P352, P321, P330, P331, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 33 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 23-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32348

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)

안전 데이터

HS 번호: 2914790090

화학 및 산업

상·하류 제품 정보

상류 원료

공급사50 곳

上海策嵘生物科技有限公司[email protected]

山东科研制药有限公司13053388919

济南诚汇双达生物有限公司053158897070 15550412551

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

연결된 노트

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