플루오르아세트페논

3-Fluoroacetophenone

HCID 9967CAS 455-36-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1cccc(F)c1
InChIKey: HCEKGPAHZCYRBZ-UHFFFAOYSA-N
분자식: C8H7FO
평균 분자량: 138.14 g/mol
단동위원소 질량: 138.04809306

이름 및 식별자

우선 이름: 3-Fluoroacetophenone
IUPAC: 1-(3-fluorophenyl)ethanone
현지명: 플루오르아세트페논
영어명: 3'-Fluoroacetophenone
분자식: C8H7FO
분자량: 138.14

이름 및 동의어

3'-Fluoroacetophenone3-FLUOROACETOPHENONEEINECS 207-245-4NSC 88301RefChem:501928207-245-4455-36-71-(3-Fluorophenyl)ethanonem-Fluoroacetophenone1-(3-fluorophenyl)ethan-1-oneEthanone, 1-(3-fluorophenyl)-1-acetyl-3-fluorobenzene

이름 더 보기

플루오르아세트페논3'-플루오로아세토페논3-fluorohypnone3-fluoroacetohenone3'-Fluoroacetophenone99%

MFCD000003383/'-FluoroacetophenoneAcetophenone, 3'-fluoro-1-(3-fluoro-phenyl)-ethanone1-(3-Fluorophenyl)ethanone #NSC-88301AKOS000119793AC-3640

데이터베이스 식별자

CAS: 455-36-7
PubChem CID: 9967
DTXSID: DTXSID8073186
UNII: ETU68KSP9P
EC Number: 207-245-4
Nikkaji: J142.886A

물성

구조 계산 물성

XLogP: 1.8
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: 133

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: -3 °C · -3°C
끓는 점: 81 °C9 · 81 °C9 mm Hg(lit.)
밀도: 1.126 g/mL · 1.126 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.509(lit.)
인화점: 177 °F · 177 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.126 · 1.126
색상: 무색~황색으로 투명함
수용성: 물에 약간 용해됩니다.
BRN: 907041 · 907041
InChI: 1S/C8H7FO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
InChIKey: HCEKGPAHZCYRBZ-UHFFFAOYSA-N
SMILES: CC(=O)c1cccc(F)c1
NIST: 1 · Ethanone, 1-(3-fluorophenyl)-(455-36-7)
EPA: 1 · Ethanone, 1-(3-fluorophenyl)- (455-36-7)

화학적 성질

clear colourless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29143990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-36/37/39-27
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도3'-Fluoroacetophenone is used as raw material and intermediate in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.

일반 설명Bioreduction of 3′-fluoroacetophenone by cells of Aspergillus terreus in phosphate buffer solution-glycerol has been reported.

상·하류 제품 정보

하류 제품

2-브로모-1-(3-플루오로페닐)에탄-1-온 3-Fluorobenzoylacetonitrile 3′-플루오로아세트아닐라이드 2-Butenoic acid, 3-(3-fluorophenyl)-, (E)- (9CI)3'-Fluoro-3-phenylpropiophenone Ethanone, 1-(3-fluorophenyl)-2-(methylthio)-Piperazine, 1-[1-(3-fluorophenyl)ethyl]-(R)-N-[1-(3-Fluorophenyl)ethyl]methylamine 3'-Fluoro-2-methylpropiophenone (S)-tert-butyl 3-(3-aMino-5-(3-fluorophenyl)thiophene-2-carboxaMido)piperidine-1-carboxylate

공급사50 곳

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