5-Bromoquinazoline-2,4(1H,3H)-dione
Basic information
- CAS
959237-01-5- Standard SMILES
O=c1[nH]c(=O)c2c(Br)cccc2[nH]1- InChIKey
XVGJXAHPJRPIOH-UHFFFAOYSA-N- Molecular formula
- C8H5BrN2O2
- Average molar mass
- 241.04 g/mol
- Monoisotopic mass
- 239.95344
Names & identifiers
- Preferred name
- 5-Bromoquinazoline-2,4(1H,3H)-dione
- IUPAC
- 5-bromo-1H-quinazoline-2,4-dione
- English name
- 5-BroMoquinazoline-2,4(1H,3H)-dione
- Molecular formula
- C8H5BrN2O2
- Molecular weight
- 241.04
Names & synonyms
5-BROMOQUINAZOLINE-2,4(1H,3H)-DIONE959237-01-5DTXSID00598992RefChem:302082DTXCID905497515-bromo-1H-quinazoline-2,4-dioneMFCD099548475-Bromoquinazoline-2,4-diol5-bromo-1,2,3,4-tetrahydroquinazoline-2,4-dioneSCHEMBL1502649SCHEMBL15846753AKOS015919816
Show more names
5-Bromoquinazoline-2,4(1H,3H)-dion2,4(1H,3H)-Quinazolinedione,5-bromo-
CS-W0183705-Bromo-2,4(1H,3H)-quinazolinedioneCS-17381XVGJXAHSCHEMBL29487399SCHEMBL30013511XVGJXAHPJRPIOH-UHFFFAOYSA-NSY035150
Database identifiers
- CAS
959237-01-5- PubChem CID
- 19604232
- DTXSID
DTXSID00598992
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Density
- 1.752 · 1.752±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 9.82 · 9.82±0.20(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
5 records
Compound notes
Loading…