Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate

HCID 1268243
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
100491-29-0
표준 SMILES
CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(Cl)c(F)cc2c1=O
InChIKey
JLSXYCZRMYCIMY-UHFFFAOYSA-N
분자식
C17H10ClF3N2O3
평균 분자량
382.7 g/mol
단동위원소 질량
382.03320452

이름 및 식별자

우선 이름
Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate
IUPAC
ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
영어명
ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE
분자식
C17H10ClF3N2O3
분자량
382.72

이름 및 동의어

100491-29-0EC 422-360-1ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylateRefChem:596007422-360-1ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylateethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylateMFCD018632857-Chloro-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl EsterETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATEST0671131,8-Naphthyridine-3-carboxylic acid,7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester
이름 더 보기
ETHYL 1-(2RRR-α-TocopherolumTosufloxacin ImpurityTosufloxacin Impurity 23-B] PYRIDINE-3-CARBOXYLATEEthyl 7-chloro-1-(2,4-difluorophenyl)4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylateETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYR...ethyl1-(2,4-difluorophenyl)-7-chloro-6-fluoro-4-oxohydropyridino
7-Chloro-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethylethyl 1-(2,4-difluorophenyl)-7-chloro-6-fluoro-4-oxohydropyridino[2,3-b]pyridi ne-3-carboxylateETHYL 7-CHLORO-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-4-OXO-1,4-DIHYDRO[1,8]NAPHTHYRIDINE-3-CARBOXYLATEC17H10ClF3N2O37-Chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester; Ethyl 1-(2,4-Difluorophenyl)-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate;AMY155457-ChlorOprea1_565735

데이터베이스 식별자

CAS
100491-29-0
PubChem CID
1268243
DTXSID
DTXSID30361479
EC Number
422-360-1、600-101-5
Nikkaji
J385.981I

물성

구조 계산 물성

XLogP
4
극성 표면적
59.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
26

물리화학적 성질

녹는점
212 · 212-215 °C
끓는 점
502.5 · 502.5±50.0 °C(Predicted)
밀도
1.4752 · 1.4752 (estimate)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도
DMSO(약간 용해됨, 가열), 메탄올(아주 적은 양으로 녹여라, 가열)
물리적 상태
고체

화학적 성질

almost white powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9206
Hazard Classes and Categories · 3건

Skin Sens. 1 (100%)

Skin sensitisation - category 1

Skin Sens. 1

안전 데이터

HS 번호
29339980
risk_code
36/37/38
hazard_code
Xi
safety_code
37/39-26

화학 및 산업

응용 분야

용도An intermediate of Trovafloxacin (T893000) and analogs.

상·하류 제품 정보

공급사100 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

관련 반응

16건
반응 기록 만들기

화합물 노트

불러오는 중…