플루오르아세트페논

4'-Fluoroacetophenone

HCID 9828CAS 403-42-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1ccc(F)cc1
InChIKey: ZDPAWHACYDRYIW-UHFFFAOYSA-N
분자식: C8H7FO
평균 분자량: 138.14 g/mol
단동위원소 질량: 138.04809306

이름 및 식별자

우선 이름: 4'-Fluoroacetophenone
IUPAC: 1-(4-fluorophenyl)ethanone
현지명: 플루오르아세트페논
영어명: 4-Fluoroacetophenone
분자식: C8H7FO
분자량: 138.14

이름 및 동의어

4'-Fluoroacetophenone1-(4-Fluorophenyl)ethanone4-FLUOROACETOPHENONEp-Fluoroacetophenone1-(4-Fluorophenyl)Ethan-1-OneEthanone, 1-(4-fluorophenyl)-Acetophenone, 4'-fluoro-1-acetyl-4-fluorobenzeneUNII-TVQ090602VP-FLUOROHYPNONEpara-FluoroacetophenoneTVQ090602V

이름 더 보기

플루오르아세트페논4'-플루오로아세토페논4-Fluoracetophenonp-FluoroAKOS BBS-00003234Fluoroacetophenone34-FLUOROCETOPHENONE

METHYL 4-FLUOROPHENYL KETONEEINECS 206-960-9NSC 30635NSC-306354-FLUOROPHENYLETHANAL4-fluorophenyl methyl ketone4-ACETYLPHENYL FLUORIDEDTXSID0059952

데이터베이스 식별자

CAS: 403-42-9
PubChem CID: 9828
DTXSID: DTXSID0059952
ChEMBL: CHEMBL257923
UNII: TVQ090602V
EC Number: 206-960-9
Nikkaji: J31.092A

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 125

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated

DrugsPharmaceuticals -> Metabolite of Pipamperone

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP1.74

Vapor Pressure0.75 [mmHg]

Physical DescriptionColorless to yellow liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 4 °C · 4 °C
끓는 점: 77 · 77-78 °C10 mm Hg(lit.)
밀도: 1.143 g/mL · 1.143 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.511(lit.)
인화점: 160 °F · 160 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 액체
Specific Gravity: 1.138 · 1.138
색상: 무색투명~미황색
BRN: 386013 · 386013
InChI: 1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChIKey: ZDPAWHACYDRYIW-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(F)cc1
NIST: 1 · Ethanone, 1-(4-fluorophenyl)-(403-42-9)
EPA: 4 · 4'-Fluoroacetophenone (403-42-9)

화학적 성질

Clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (98.5%): Causes skin irritation [Warning Skin corrosion/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 67 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Ethanone, 1-(4-fluorophenyl)-

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See alpha-Chloroacetophenone and 4-Chloroacetophenone.

Hazard Classes and CategoriesSkin Irrit. 2 (98.5%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29147090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-23
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 1-(4-fluorophenyl)-: ACTIVE

응용 분야

용도4-Fluoroacetophenone can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.

상·하류 제품 정보

하류 제품

2-(4-Fluorophenyl)-1H-indole-3-carbaldehyde 4′-피퍼라지노아세토페논 2-(4-플루오로벤조일)-1-벤조푸란-5-카르발데하이드 에틸2-아미노-4-(4-플루오로페닐)티오펜-3-카르복실레이트 4-(4-플루오로-페닐)-피리미딘-2-티올 4-Fluorophenylacetylene 4'-Phenoxyacetophenone 1-(4-플루오로페닐)에틸아민 5-(4-Fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one 2-브로모-4'-플루오로아세토페논 알파,알파-디브로모-4-플루오로아세토페논 6-(4-Fluorophenyl)indole

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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