Ethyl 2-(2-chloropyridin-3-yl)-2-oxoacetate
Basic information
- CAS
902837-56-3- Standard SMILES
CCOC(=O)C(=O)c1cccnc1Cl- InChIKey
ZTIMVJIGNBYGJG-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO3
- Average molar mass
- 213.62 g/mol
- Monoisotopic mass
- 213.0192708
Names & identifiers
- Preferred name
- Ethyl 2-(2-chloropyridin-3-yl)-2-oxoacetate
- IUPAC
- ethyl 2-(2-chloro-3-pyridinyl)-2-oxoacetate
- English name
- (2-Chloro-pyridin-3-yl)-oxo-acetic acid ethyl ester
- Molecular formula
- C9H8ClNO3
- Molecular weight
- 213.62
Names & synonyms
902837-56-3Ethyl 2-(2-chloropyridin-3-yl)-2-oxoacetateethyl 2-chloro-3-pyridylglyoxylate(2-Chloro-Pyridin-3-Yl)-Oxo-Acetic Acid Ethyl EsterMFCD07781194ETHYL (2-CHLOROPYRIDIN-3-YL)(OXO)ACETATE2-Chloro-3-pyridylglyoxylic acid ethyl esterDTXSID20654802AKOS016006738Ethyl 2-chloro-a-oxo-3-pyridineacetateAS-40650DB-078633
Show more names
Ethyl 2-chloro-α-oxo-3-pyridineacetate3-Pyridineacetic acid, 2-chloro-α-oxo-, ethyl ester3-Pyridineacetic acid, 2-chloro-a-oxo-, ethyl ester2-Chloro-alpha-oxo-3-pyridineacetic acid ethyl ester(2-CHLORO-PYRIDIN-3-YL)-OXO-ACETIC ACID ETHYL ESTER ISO 9001：2015 REACH
Ethyl2-(2-chloropyridin-3-yl)-2-oxoacetateST50826637ethyl 2-(2-chloro(3-pyridyl))-2-oxoacetateethyl 2-(2-chloro-3-pyridyl)-2-oxo-acetateF232217
Database identifiers
- CAS
902837-56-3- PubChem CID
- 42553166
- DTXSID
DTXSID20654802
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 332 ℃ · 332℃
- Density
- 1.313 · 1.313
- Flash point
- 154 ℃ · 154℃
- storage temp.
- 2 · 2-8°C
- pka
- -2.29 · -2.29±0.10(Predicted)
- form
- liquid
- color
- Clear, pale lemon
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesEthyl 2-chloro-3-pyridylglyoxylate is used as a pharmaceutical intermediates.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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