6-Chloro-4-phenylquinazoline-2-carbaldehyde
Basic information
- CAS
5958-05-4- Standard SMILES
O=Cc1nc(-c2ccccc2)c2cc(Cl)ccc2n1- InChIKey
CAWORDKXNAEUOJ-GDNBJRDFSA-N- Molecular formula
- C15H9ClN2O
- Average molar mass
- 268.7 g/mol
- Monoisotopic mass
- 268.0403406
Names & identifiers
- Preferred name
- 6-Chloro-4-phenylquinazoline-2-carbaldehyde
- IUPAC
- 6-chloro-4-phenylquinazoline-2-carbaldehyde
- English name
- 6-Chloro-4-phenylquinazolin-2-carboxaldehyde
- Molecular formula
- C15H9ClN2O
- Molecular weight
- 268.7
Names & synonyms
6-chloro-4-phenylquinazoline-2-carbaldehyde5958-05-42-Quinazolinecarboxaldehyde, 6-chloro-4-phenyl-PK2YAI99XGUNII-PK2YAI99XGOxazepam specified impurity C [EP]OXAZEPAM IMPURITY C [EP IMPURITY]OXAZEPAM IMPURITY C (EP IMPURITY)RefChem:199076Oxazepam specified impurity C6-Chloro-4-phenylquinazolin-2-carboxaldehydeOxazepam EP Impurity C
Show more names
OxazepaM Related CoMpound COxazepam Related Compound C (6-chloro-4-phenylquinazoline-2-carbaldehyde) (1483039)
MFCD226315226-Chloro-4-phenyl quinazoline-2-carbaldehyde, impurity c of the pheur of oxazepamQuinazoline, 6-chloro-2-formyl-4-phenyl-6-Chloro-4-phenyl-2-quinazolinecarboxaldehydeSCHEMBL13585551WZOTYGIIBJPOSP-UHFFFAOYSA-NOxazepam Related Compound C (15 mg)6-chloro-4-phenylquinazolin-2-aldehyde
Database identifiers
- CAS
5958-05-4- PubChem CID
- 555754
- UNII
- PK2YAI99XG
- Nikkaji
- J687.466E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 177 · 177-178 °C
- Boiling point
- 475.1 · 475.1±37.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.75 · -0.75±0.30(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C19H16O4/c1-21-16-9-8-14(17(12-16)22-2)10-15-11-18(23-19(15)20)13-6-4-3-5-7-13/h3-12H,1-2H3/b15-10-
- InChIKey
- CAWORDKXNAEUOJ-GDNBJRDFSA-N
- SMILES
- O1C(=C\C(=C\c3c(cc(cc3)OC)OC)\C1=O)c2ccccc2
- FDA UNII
- 2 YAI99XG · PK2YAI99XG
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933999552 · 2933999552
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- hs_code
- 2933999552
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesThe degradation product of Oxazepam (O845700), a benzodiazepine derivative. Controlled Substance.
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Compound notes
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