Ethyl Quinoxaline-6-carboxylate
Basic information
- CAS
6924-72-7- Standard SMILES
CCOC(=O)c1ccc2nccnc2c1- InChIKey
KGGWBCOZLWDYSQ-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- Ethyl Quinoxaline-6-carboxylate
- IUPAC
- ethyl quinoxaline-6-carboxylate
- English name
- Quinoxaline-6-carboxylic acid ethyl ester
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.21
Names & synonyms
Ethyl Quinoxaline-6-carboxylate6924-72-7MFCD09998746quinoxaline-6-carboxylic acid ethyl esterethylquinoxaline-6-carboxylate6-(Ethoxycarbonyl)quinoxalineethyl quinoxaline-7-carboxylateSCHEMBL2437304SCHEMBL2440457SCHEMBL10746855DTXSID30617766SBB053999
Show more names
Ethyl 6-quinoxalinecarboxylate6-Quinoxalinecarboxylic acid, ethyl ester
AKOS008950665PS-4504BL004086SY039602CS-0043142ST50949766F067052
Database identifiers
- CAS
6924-72-7- PubChem CID
- 21764871
- DTXSID
DTXSID30617766
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 66 °C · 66 °C
- Boiling point
- 330.8 · 330.8±22.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -0.31 · -0.31±0.30(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xi
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Compound notes
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