4-Chloro-6-morpholinopyrimidine-5-carbaldehyde
Basic information
- CAS
54503-94-5- Standard SMILES
O=Cc1c(Cl)ncnc1N1CCOCC1- InChIKey
YGFLPSPKKFXHHX-UHFFFAOYSA-N- Molecular formula
- C9H10ClN3O2
- Average molar mass
- 227.65 g/mol
- Monoisotopic mass
- 227.0461543
Names & identifiers
- Preferred name
- 4-Chloro-6-morpholinopyrimidine-5-carbaldehyde
- IUPAC
- 4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde
- English name
- 4-Chloro-6-morpholino-5-pyrimidinecarbaldehyde
- Molecular formula
- C9H10ClN3O2
- Molecular weight
- 227.65
Names & synonyms
54503-94-54-Chloro-6-morpholinopyrimidine-5-carbaldehyde4-Chloro-6-morpholino-5-pyrimidinecarbaldehyde4-chloro-6-(morpholin-4-yl)pyrimidine-5-carbaldehyde4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehydeMFCD04124789SCHEMBL24583423DTXSID80392192SBB097201AKOS005070027CS-0453449EN300-725303
Show more names
4-chloro-6-morpholin-4-yl-pyrimidine-5-carbaldehyde4-Chloro-6-morpholin-4-ylpyrimidine-5-carboxaldehyde5-Pyrimidinecarboxaldehyde, 4-chloro-6-(4-morpholinyl)-4-Chloro-5-formyl-6-(morpholin-4-yl)pyrimidine, 4-(6-Chloro-5-formylpyrimidin-4-yl)morpholine
4-chloro-6-morpholino-pyrimidine-5-carbaldehyde1X-0804SR-010003072196-chloro-4-morpholin-4-ylpyrimidine-5-carbaldehydeSR-01000307219-14-Chloro-6-(morpholin-4-yl)pyrimidine-5-carboxaldehyde
Database identifiers
- CAS
54503-94-5- PubChem CID
- 3406180
- DTXSID
DTXSID80392192
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 94 · 94-96°C
- Boiling point
- 426.5 · 426.5±45.0 °C(Predicted)
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- pka
- 1.26 · 1.26±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
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
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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