1-(2,4-Difluorophenyl)-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HCID 59804CAS 103995-01-3

기본 정보

표준 SMILES: O=C(O)c1cn(-c2ccc(F)cc2F)c2cc(F)c(F)cc2c1=O
InChIKey: BNYMEXVJUDGTJS-UHFFFAOYSA-N
분자식: C16H7F4NO3
평균 분자량: 337.22 g/mol
단동위원소 질량: 337.03620596

이름 및 식별자

우선 이름: 1-(2,4-Difluorophenyl)-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
IUPAC: 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
영어명: 1-(2,4-DIFLUOROPHENYL)-6,7-DIFLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID
분자식: C16H7F4NO3
분자량: 337.23

이름 및 동의어

103995-01-31-(2,4-DIFLUOROPHENYL)-6,7-DIFLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-(2,4-Difluorophenyl)-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid1-(2,4-difluorophenyl)-6,7-difluoro-4-oxoquinoline-3-carboxylic acidAbbott-72931M05QDS0E773-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-6,7-difluoro-1,4-dihydro-4-oxo-UNII-M05QDS0E77Oprea1_103293SCHEMBL500692C16H7F4NO3

이름 더 보기

1-(2,4-Difluorophenyl)-6,7-difluoro-1,4-dihydro-4-oxoquinolin-3-carboxylic acid1-(2，4-DIFLUORO-PHENYL)-6，7-DIFLUORO-4-OXO-1，4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID

DTXSID30275643AKOS000281058DB-179812NS001204591-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-quinoline-3-carboxylic acid1 -(2 ,4-difluorophenyl) -6,7-difluoro-4-oxo-1 ,4-dihydro-3-quinolinecarboxylic acid1-(2',4'-difluorophenyl)-6,7-difluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid1-(2,4-Difluorophenyl)-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylicacid

데이터베이스 식별자

CAS: 103995-01-3
PubChem CID: 59804
DTXSID: DTXSID30275643
UNII: M05QDS0E77
EC Number: 406-710-0
Nikkaji: J367.525D

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 2
무거운 원자 수: 24
형식 전하: 0
복잡도: 570

물리화학적 성질

녹는점: 239 · 239-241 °C(Solv: chloroform (67-66-3); ethanol (64-17-5))
끓는 점: 472.2 · 472.2±45.0 °C(Predicted)
밀도: 1.618 · 1.618±0.06 g/cm3(Predicted)
산도 계수 (pKa): 5.95 · 5.95±0.41(Predicted)

안전 및 규제

유해성 정보

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4786

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

응용 분야

용도1-(2,4-Difluorophenyl)-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid is an intermediate used to prepare hydrazinoquinolones and azetidinylquinolinones derivatives as antibacterial agents.