6-Chloro-4-phenyl-2(1H)-quinazolinone
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Basic information
- CAS
4797-43-7- Standard SMILES
O=c1nc(-c2ccccc2)c2cc(Cl)ccc2[nH]1- InChIKey
DBKIXSRJBMRMMF-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2O
- Average molar mass
- 256.68 g/mol
- Monoisotopic mass
- 256.0403406
Names & identifiers
- Preferred name
- 6-Chloro-4-phenyl-2(1H)-quinazolinone
- IUPAC
- 6-chloro-4-phenyl-1H-quinazolin-2-one
- English name
- 6-CHLORO-4-PHENYLQUINAZOLIN-2(1H)-ONE
- Molecular formula
- C14H9ClN2O
- Molecular weight
- 256.69
Names & synonyms
4797-43-76-Chloro-4-phenyl-2(1H)-quinazolinone2(1H)-Quinazolinone, 6-chloro-4-phenyl-DTXSID30197371RefChem:1073879DTXCID401198626-Chloro-4-phenyl-1H-quinazolin-2-one6-chloro-4-phenylquinazolin-2(1H)-oneMLS000029766SMR000008545F0014-09316-chloro-4-phenyl-2-quinazolinol
Show more names
IFLAB-BB F0014-0931
ChemDiv3_000212Cambridge id 58495746-chloro-4-phenyl-1,2-dihydroquinazolin-2-onecid_63204IFLab1_001342SCHEMBL6871615CHEMBL1368964SCHEMBL24108921
Database identifiers
- CAS
4797-43-7- PubChem CID
- 63204
- DTXSID
DTXSID30197371- ChEMBL
CHEMBL1368964- Nikkaji
- J3.054.330K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 10.92 · 10.92±0.40(Predicted)
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
3 records
Compound notes
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