2-Chloro-1-(3,4-difluorophenyl)ethanone

HCID 2392321CAS 51336-95-9

기본 정보

표준 SMILES: O=C(CCl)c1ccc(F)c(F)c1
InChIKey: VMEDAWUIKFAFJQ-UHFFFAOYSA-N
분자식: C8H5ClF2O
평균 분자량: 190.57 g/mol
단동위원소 질량: 189.9996989

이름 및 식별자

우선 이름: 2-Chloro-1-(3,4-difluorophenyl)ethanone
IUPAC: 2-chloro-1-(3,4-difluorophenyl)ethanone
영어명: 2-Chloro-1-(3,4-difluoro-phenyl)-ethanone
분자식: C8H5ClF2O
분자량: 190.57

이름 및 동의어

51336-95-92-chloro-1-(3,4-difluorophenyl)ethanoneEC 610-651-8RefChem:468346610-651-82-Chloro-1-(3,4-difluoro-phenyl)-ethanone2-Chloro-3',4'-difluoroacetophenone2-chloro-1-(3,4-difluorophenyl)ethan-1-oneMFCD039668883,4-DIFLUOROPHENACYL CHLORIDETicagrelor Impurity 91a-Chloro-3,4-difluoroacetophenone

이름 더 보기

Ticagrelor Impurity 148α-Chloro-3,4-difluorobenzophenone2-chloro-1(3,4-difuorophenyl)ethanoneEthanone,2-chloro-1-(3,4-difluorophenyl)-

1-(3,4-difluorophenyl)-2-chloroethan-1-one2-CHLORO-3,4-DIFLUOROACETOPHENONE2-Chloro-1-(3,4-difluoro-phenyl)ethanoneEthanone, 2-chloro-1-(3,4-difluorophenyl)-Fluconazole Impurity 6SCHEMBL247898CHEMBL5282020SCHEMBL29464070

데이터베이스 식별자

CAS: 51336-95-9
PubChem CID: 2392321
DTXSID: DTXSID40368434
ChEMBL: CHEMBL5282020
EC Number: 610-651-8
Nikkaji: J1.376.121C

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 31 · 31-32 °C(Solv: ethanol (64-17-5); water (7732-18-5))
끓는 점: 256.3 · 256.3±25.0 °C(Predicted)
밀도: 1.353 · 1.353±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to lump
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C8H5ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2
InChIKey: VMEDAWUIKFAFJQ-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(F)C(F)=C1)CCl

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (20%): May be corrosive to metals [Warning Corrosive to Metals]

P233, P234, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P390, P403, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 07-10-2009 https://echa.europa.eu/registration-dossier/-/registered-dossier/1864

Hazard Classes and CategoriesMet. Corr. 1 (20%)

안전 데이터

ridadr: UN 3261 8/PG II
HS 번호: 2914790090
hazard_code: C,Xi
포장분류: II
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도2-Chloro-1-(3,4-difluoro-phenyl)-ethanone is mainly used as an organic synthesis intermediate component. It can be used to prepare (1R,2R)-Ethyl 2-(3,4-difluorophenyl)cyclopropanecarboxylate, (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (R)-2-hydroxy-2- phenylacetate, and 2-Arylcyclopropylamines.

상·하류 제품 정보

상류 원료

디플르오르벤젠(1,2-)클로로아세틸 클로라이드

하류 제품

(S)-2-(3,4-디플루오로페닐)옥시란 2-아미노-4-(3,4-디플루오로페닐)티아졸 (1R,2R)-2-(3,4-디플루오로페닐)시클로프로판카르복사미드 (1S)-2-chloro-1-(3,4-difluorophenyl)-1-ethanol (1R,2R)-2-(3,4-디플루오로페닐)시클로프로판카르복실산

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

天津始加生物医药科技有限公司15022261580 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

연결된 노트

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