3-(4-Bromobenzyl)-7-chloro-4(3H)-quinazolinone
Basic information
- CAS
302913-21-9- Standard SMILES
O=c1c2ccc(Cl)cc2ncn1Cc1ccc(Br)cc1- InChIKey
RTGNGDKPZVMXCE-UHFFFAOYSA-N- Molecular formula
- C15H10BrClN2O
- Average molar mass
- 349.61 g/mol
- Monoisotopic mass
- 347.9665
Names & identifiers
- Preferred name
- 3-(4-Bromobenzyl)-7-chloro-4(3H)-quinazolinone
- IUPAC
- 3-[(4-bromophenyl)methyl]-7-chloroquinazolin-4-one
- English name
- 3-[(4-bromophenyl)methyl]-7-chloro-3,4-dihydroquinazolin-4-one
- Molecular formula
- C15H10BrClN2O
- Molecular weight
- 349.6097
Names & synonyms
302913-21-93-(4-BROMOBENZYL)-7-CHLORO-4(3H)-QUINAZOLINONERefChem:492670658-642-83-(4-Bromobenzyl)-7-chloroquinazolin-4(3H)-one3-[(4-bromophenyl)methyl]-7-chloro-3,4-dihydroquinazolin-4-oneAKOS024327089
Database identifiers
- CAS
302913-21-9- PubChem CID
- 4095886
- EC Number
- 658-642-8
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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