3-(4-Bromobenzyl)-4(3H)-quinazolinone
Basic information
- CAS
302913-19-5- Standard SMILES
O=c1c2ccccc2ncn1Cc1ccc(Br)cc1- InChIKey
MWUCVDVCPXPOCN-UHFFFAOYSA-N- Molecular formula
- C15H11BrN2O
- Average molar mass
- 315.16 g/mol
- Monoisotopic mass
- 314.00548
Names & identifiers
- Preferred name
- 3-(4-Bromobenzyl)-4(3H)-quinazolinone
- IUPAC
- 3-[(4-bromophenyl)methyl]quinazolin-4-one
- English name
- 3-(4-bromobenzyl)-4(3H)-quinazolinone
- Molecular formula
- C15H11BrN2O
- Molecular weight
- 315.16464
Names & synonyms
302913-19-53-(4-bromobenzyl)-4(3H)-quinazolinoneRefChem:492665658-649-63-(4-bromobenzyl)quinazolin-4(3H)-one3-[(4-bromophenyl)methyl]-3,4-dihydroquinazolin-4-one3-[(4-bromophenyl)methyl]quinazolin-4-oneAKOS003651218ST451057633-[(4-bromophenyl)methyl]quinazolin-4(3H)-oneAK-918/42271882SR-01000270723
Show more names
3-[(4-bromophenyl)methyl]-3-hydroquinazolin-4-oneSR-01000270723-1
Database identifiers
- CAS
302913-19-5- PubChem CID
- 853039
- EC Number
- 658-649-6
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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