Basic information
- CAS
23965-11-9- Standard SMILES
O=c1[nH]c2ccc(Br)cc2c(=O)n1-c1ccccc1- InChIKey
KPALJORMIHEMMB-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2O2
- Average molar mass
- 317.14 g/mol
- Monoisotopic mass
- 315.98474
Names & identifiers
- Preferred name
- 6-Bromo-3-phenylquinazoline-2,4(1H,3H)-dione
- IUPAC
- 6-bromo-3-phenyl-1H-quinazoline-2,4-dione
- English name
- 6-bromo-3-phenyl-2,4(1H,3H)-quinazolinedione
- Molecular formula
- C14H9BrN2O2
- Molecular weight
- 317.14
Names & synonyms
23965-11-96-bromo-3-phenylquinazoline-2,4(1H,3H)-dioneDTXSID30352089RefChem:307514DTXCID103031556-bromo-3-phenyl-2,4(1H,3H)-quinazolinedione6-bromo-3-phenyl-1H-quinazoline-2,4-dioneMFCD002629412,4(1H,3H)-quinazolinedione, 6-bromo-3-phenyl-6-bromo-3-phenyl-1,2,3,4-tetrahydroquinazoline-2,4-dioneALBB-016977CCG-19357
Show more names
6-bromo-3-phenyl-1H-quinazoline-2,4-quinone
SBB083365STK100240AKOS001074156KC-0082FB125650CS-0348835H31842AB00979468-01
Database identifiers
- CAS
23965-11-9- PubChem CID
- 718441
- DTXSID
DTXSID30352089
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 254 · 254-255 °C(Solv: isopropanol (67-63-0); N,N-dimethylformamide (68-12-2))
- Density
- 1.612 · 1.612±0.06 g/cm3(Predicted)
- pka
- 11.25 · 11.25±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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