5-플루오로-2-하이드록시3′-니트로아세토페논

5'-Fluoro-2'-hydroxy-3'-nitroacetophenone

HCID 2758984

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 70978-39-1
표준 SMILES: CC(=O)c1cc(F)cc([N+](=O)[O-])c1O
InChIKey: YVTPUCHIOSGVSH-UHFFFAOYSA-N
분자식: C8H6FNO4
평균 분자량: 199.14 g/mol
단동위원소 질량: 199.02808589

이름 및 식별자

우선 이름: 5'-Fluoro-2'-hydroxy-3'-nitroacetophenone
IUPAC: 1-(5-fluoro-2-hydroxy-3-nitrophenyl)ethanone
현지명: 5-플루오로-2-하이드록시3′-니트로아세토페논
영어명: 5'-Fluoro-2'-hydroxy-3'-nitro-
분자식: C8H6FNO4
분자량: 199.14

이름 및 동의어

5'-Fluoro-2'-hydroxy-3'-nitroacetophenoneRefChem:527491622-131-870978-39-11-(5-fluoro-2-hydroxy-3-nitrophenyl)ethanoneMFCD030940071-(5-fluoro-2-hydroxy-3-nitrophenyl)ethan-1-one5 inverted exclamation marka-Fluoro-2 inverted exclamation marka-hydroxy-3 inverted exclamation marka-nitroacetophenone1-(5-fluoro-2-hydroxy-3-nitro-phenyl)ethanoneSCHEMBL3840635DTXSID10374582YVTPUCHIOSGVSH-UHFFFAOYSA-N

이름 더 보기

5-플루오로-2-하이드록시3′-니트로아세토페논5'-Fluoro-2'-hydroxy-3'-nitro-Ethanone, 1-(5-fluoro-2-hydroxy-3-nitrophenyl)-5′-Fluoro-2′-hydroxy-3′-nitroacetophenone, CAS 70978-39-1JRH-01022, 1-(5-Fluoro-2-hydroxy-3-nitrophenyl)ethanone, 97%

AKOS015916326FS-48025'-fluoro-2'-hydroxy-3'-nitroacetopheone1-acetyl-5-fluoro-2-hydroxy-3-nitrobenzeneCS-0322583ST510417795''-Fluoro-2''-hydroxy-3''-nitroacetophenoneD96254

데이터베이스 식별자

CAS: 70978-39-1
PubChem CID: 2758984
DTXSID: DTXSID10374582
EC Number: 622-131-8
Nikkaji: J2.631.877G

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 83.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 252

물리화학적 성질

녹는점: 87 · 87-90 °C (lit.)
끓는 점: 240.9 · 240.9±35.0 °C(Predicted)
밀도: 1.47 · 1.470±0.06 g/cm3(Predicted)
산도 계수 (pKa): 6.96 · 6.96±0.38(Predicted)
InChI: 1S/C8H6FNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
InChIKey: YVTPUCHIOSGVSH-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(F)cc(c1O)[N+]([O-])=O

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 40 reports by companies from 3 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
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5′-Fluoro-2′-hydroxy-3′-nitroacetophenone may be used to prepare 1-(3-amino-5-fluoro-2-hydroxyphenyl)ethanone via catalytic hydrogenation.

일반 설명5′-Fluoro-2′-hydroxy-3′-nitroacetophenone, also known as 1-(5-fluoro-2-hydroxy-3-nitrophenyl)ethanone, is an aromatic hydroxy ketone. It can be synthesized from 5-fluoro-2-hydroxy-acetophenone via nitration.