Basic information
- CAS
100491-29-0- Standard SMILES
CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(Cl)c(F)cc2c1=O- InChIKey
JLSXYCZRMYCIMY-UHFFFAOYSA-N- Molecular formula
- C17H10ClF3N2O3
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 382.03320452
Names & identifiers
- Preferred name
- 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
- English name
- ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE
- Molecular formula
- C17H10ClF3N2O3
- Molecular weight
- 382.72
Names & synonyms
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
Show more names
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
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 606
Physicochemical properties
- Melting point
- 212 · 212-215 °C
- Boiling point
- 502.5 · 502.5±50.0 °C(Predicted)
- Density
- 1.4752 · 1.4752 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- DMSO (Slightly, Heated), Methanol (Very Slightly, Heated)
- form
- Solid
- pka
- -3.23 · -3.23±0.70(Predicted)
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H411
- Precautionary statements
- 501 · P501-P261-P273-P272-P280-P302+P352-P391-P362+P364-P333+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- HS Code
Safety & regulation
GHS classification
GHS Classification
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)
Hazard information
Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9206
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin sensitisation - category 1
Skin Sens. 1
Safety data
- hs_code
- 29339980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H317-H411
- REACH Registrations
- Inactive
- Precautionary statements
- P501-P261-P273-P272-P280-P302+P352-P391-P362+P364-P333+P313
Chemistry & industry
Applications
UsesAn intermediate of Trovafloxacin (T893000) and analogs.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
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]
Related reactions
16 records
Compound notes
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