6,8-Dibromo-3-(4-bromobenzyl)-4(3H)-quinazolinone
Basic information
- CAS
302913-27-5- Standard SMILES
O=c1c2cc(Br)cc(Br)c2ncn1Cc1ccc(Br)cc1- InChIKey
KDNVRKDCVHYWKL-UHFFFAOYSA-N- Molecular formula
- C15H9Br3N2O
- Average molar mass
- 473 g/mol
- Monoisotopic mass
- 469.8265
Names & identifiers
- Preferred name
- 6,8-Dibromo-3-(4-bromobenzyl)-4(3H)-quinazolinone
- IUPAC
- 6,8-dibromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
- English name
- 6,8-dibromo-3-[(4-bromophenyl)methyl]-3,4-dihydroquinazolin-4-one
- Molecular formula
- C15H9Br3N2O
- Molecular weight
- 472.95676
Names & synonyms
302913-27-56,8-DIBROMO-3-(4-BROMOBENZYL)-4(3H)-QUINAZOLINONERefChem:538738658-517-86,8-Dibromo-3-(4-bromobenzyl)quinazolin-4(3H)-one6,8-dibromo-3-[(4-bromophenyl)methyl]-3,4-dihydroquinazolin-4-oneAKOS024327090
Database identifiers
- CAS
302913-27-5- PubChem CID
- 4092497
- EC Number
- 658-517-8
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 413 · H413-H319-H301
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-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.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H413-H319-H301
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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