3-(4-Bromophenyl)-2-methyl-3,4-dihydroquinazolin-4-one
Basic information
- CAS
1788-95-0- Standard SMILES
Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1- InChIKey
HNDXCNZDFXGBRU-UHFFFAOYSA-N- Molecular formula
- C15H11BrN2O
- Average molar mass
- 315.16 g/mol
- Monoisotopic mass
- 314.00548
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-2-methyl-3,4-dihydroquinazolin-4-one
- IUPAC
- 3-(4-bromophenyl)-2-methylquinazolin-4-one
- English name
- 3-(4-Bromophenyl)-2-methylquinazolin-4(3H)-one
- Molecular formula
- C15H11BrN2O
- Molecular weight
- 315.16
Names & synonyms
3-(4-bromophenyl)-2-methyl-3,4-dihydroquinazolin-4-one3-(4-Bromophenyl)-2-methyl-4(3H)-quinazolinoneRefChem:492731978-113-81788-95-03-(4-bromophenyl)-2-methylquinazolin-4(3H)-one3-(4-bromophenyl)-2-methylquinazolin-4-one4(3H)-Quinazolinone, 3-(4-bromophenyl)-2-methyl-Oprea1_244502Oprea1_647455SCHEMBL9336504SCHEMBL30726093
Show more names
3-(4-bromophenyl)-2-methyl-quinazolin-4-one
DTXSID70275682HMS1608H16Cl-6164BAA78895STK068791AKOS000540891CCG-104792ST50911997
Database identifiers
- CAS
1788-95-0- PubChem CID
- 63377
- DTXSID
DTXSID70275682- EC Number
- 978-113-8
- Nikkaji
- J73.049A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 165 · 165-167 °C
- Boiling point
- 453.9 · 453.9±47.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 2.51 · 2.51±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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