5,6-Dimethyl-3-oxo-3,4-dihydropyrazine-2-carboxylic acid
Basic information
- CAS
57796-64-2- Standard SMILES
Cc1nc(C(=O)O)c(=O)[nH]c1C- InChIKey
KAUAWDMQKHADMP-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- 5,6-Dimethyl-3-oxo-3,4-dihydropyrazine-2-carboxylic acid
- IUPAC
- 5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxylic acid
- English name
- 5,6-Dimethyl-3-oxo-3,4-dihydro-pyrazine-2-carboxylic acid
- Molecular formula
- C7H8N2O3
- Molecular weight
- 168.15
Names & synonyms
5,6-dimethyl-3-oxo-3,4-dihydropyrazine-2-carboxylic acidDTXSID20308570RefChem:528110DTXCID00259697832-347-657796-64-23-Hydroxy-5,6-dimethylpyrazine-2-carboxylic acid5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxylic acidMFCD26938571NSC2049873-Hydroxy-5,6-dimethyl-2-pyrazinecarboxylic acid5,6-DIMETHYL-3-OXO-3,4-DIHYDRO-PYRAZINE-2-CARBOXYLIC ACID
Show more names
2-Pyrazinecarboxylic acid, 3,4-dihydro-5,6-dimethyl-3-oxo-
3-Hydroxy-5,6-dimethyl-pyrazine-2-carboxylic acidMFCD09863903SCHEMBL4704103HCA79664AKOS005208517AKOS027427010NSC-204987DS-18914
Database identifiers
- CAS
57796-64-2- PubChem CID
- 307187
- DTXSID
DTXSID20308570- EC Number
- 832-347-6
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 172 · 172-174 °C (decomp)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 12.82 · 12.82±0.60(Predicted)
- Appearance
- Off-white to light yellow Solid
- Comptox DTXSID
- 20308570 · DTXSID20308570
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5,6-Dimethyl-3-oxo-3,4-dihydropyrazine-2-carboxylic acid is used as a reactant in the preparation of hydroxypyrazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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