Ethyl 2-oxo-1,2-dihydropyrimidine-5-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
95928-49-7- Standard SMILES
CCOC(=O)c1cnc(=O)[nH]c1- InChIKey
CFWYVWBOCSWZIK-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- Ethyl 2-oxo-1,2-dihydropyrimidine-5-carboxylate
- IUPAC
- ethyl 2-oxo-1H-pyrimidine-5-carboxylate
- English name
- 1,2-Dihydro-2-oxo-5-pyrimidinecarboxylic acid ethyl ester
- Molecular formula
- C7H8N2O3
- Molecular weight
- 168.15
Names & synonyms
ethyl 2-oxo-1,2-dihydropyrimidine-5-carboxylateRefChem:594492850-338-595928-49-7ETHYL 2-HYDROXYPYRIMIDINE-5-CARBOXYLATEEthyl 2-oxo-1H-pyrimidine-5-carboxylateEthyl 2-Hydroxy-5-pyrimidinecarboxylate1,2-Dihydro-2-oxo-5-pyrimidinecarboxylic acid ethyl esterMFCD099915465-Pyrimidinecarboxylic acid, 1,2-dihydro-2-oxo-, ethyl esterMFCD098631632-OXO-1,2-DIHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
Show more names
Ethyl 1,2-dihydro-2-oxo-5-pyrimidinecarboxylate2-Hydroxy-pyrimidine-5-carboxylic acid ethyl esterPyriMidin-5-carboxylic acid 1,2-dihydro-2-oxo-, ethyl ester1,2-Dihydro-2-oxo-5-pyrimidinecarboxylic acid ethyl ester ISO 9001：2015 REACH
ethyl 2-oxo-1,2-dihydro-5-pyrimidinecarboxylateEthyl2-hydroxypyrimidine-5-carboxylateSCHEMBL1284390SCHEMBL6880667DTXSID30443163CFWYVWBOCSWZIK-UHFFFAOYSA-NCL1925SBB088151
Database identifiers
- CAS
95928-49-7- PubChem CID
- 10658232
- DTXSID
DTXSID30443163- EC Number
- 850-338-5
- Nikkaji
- J1.351.023G
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Density
- 1.33 · 1.33
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.18 · 8.18±0.10(Predicted)
- Appearance
- Off-white to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 29335990 · 29335990
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
- hs_code
- 29335990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesEthyl 2-oxo-1,2-dihydropyrimidine-5-carboxylate is an important fine chemical raw material that is readily soluble in water and organic solvents. Its structure exhibits interconversion between enol and ketone forms.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…