4'-Fluoro-3'-nitroacetophenone

HCID 2734612CAS 400-93-1

기본 정보

표준 SMILES: CC(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIKey: PTCNZDJJIOLIKQ-UHFFFAOYSA-N
분자식: C8H6FNO3
평균 분자량: 183.14 g/mol
단동위원소 질량: 183.03317127

이름 및 식별자

우선 이름: 4'-Fluoro-3'-nitroacetophenone
IUPAC: 1-(4-fluoro-3-nitrophenyl)ethanone
영어명: 4'-Fluoro-3'-nitroacetophenone
분자식: C8H6FNO3
분자량: 183.14

이름 및 동의어

4'-Fluoro-3'-nitroacetophenone400-93-11-(4-fluoro-3-nitrophenyl)ethanoneDTXSID60370392RefChem:506111DTXCID80321427626-780-84-Fluoro-3-nitroacetophenone1-(4-fluoro-3-nitrophenyl)ethan-1-oneMFCD00115369ETHANONE, 1-(4-FLUORO-3-NITROPHENYL)-1-(4-fluoro-3-nitro-phenyl)ethanone

이름 더 보기

4′-Fluor-3′-nitroacetophenon4-Fluoro-3-nitroacetophneone4-FLUORO-3'-NITROACETOPHENONE4'-Fluoro-3'-notroacetophenone4'-Fluoro-3'-nitroacetophenone>4'-Fluoro-3'-nitroacetophenone,98%

4'-Fluoro-3'-nitroacetophneone1-acetyl-4-fluoro-3-nitrobenzene3-NITRO-4-FLUOROACETOPHENONE1-(4-fluoro-3-nitrophenyl)-ethanone3'-NITRO-4'-FLUOROACETOPHENONE3-Nitro-4-fluoracetophenonSCHEMBL91574'-Fuoro-3'-nitroacetophenone

데이터베이스 식별자

CAS: 400-93-1
PubChem CID: 2734612
DTXSID: DTXSID60370392
EC Number: 626-780-8
Nikkaji: J2.016.130B

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 62.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 226

물리화학적 성질

녹는점: 47 · 47-51 °C
끓는 점: 118 · 118-120°C 0,8mm
밀도: 1.336 · 1.336±0.06 g/cm3(Predicted)
인화점: 118 · 118-120°C/0.8mm
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: 결정성 분말
색상: 연노랑
BRN: 2211976 · 2211976
InChI: 1S/C8H6FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
InChIKey: PTCNZDJJIOLIKQ-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(F)c(c1)[N+]([O-])=O

화학적 성질

light yellow crystalline powder

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 45 reports by companies from 5 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: 37/39-26
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4''-Fluoro-3''-nitroacetophenone is used as reactant/reagent in preparation of substituted furans via copper-catalyzed radical addition of acetophenones to alkynes.