2-Methyl-3-(2-nitrophenyl)quinazoline-4(3H)-one
Basic information
- CAS
1788-94-9- Standard SMILES
Cc1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-]- InChIKey
HJMTVXOVYRQCTR-UHFFFAOYSA-N- Molecular formula
- C15H11N3O3
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.08004122
Names & identifiers
- Preferred name
- 2-Methyl-3-(2-nitrophenyl)quinazoline-4(3H)-one
- IUPAC
- 2-methyl-3-(2-nitrophenyl)quinazolin-4-one
- English name
- 2-methyl-3-(2-nitrophenyl)quinazolin-4-one
- Molecular formula
- C15H11N3O3
- Molecular weight
- 281.27
Names & synonyms
2-METHYL-3-(2-NITROPHENYL)QUINAZOLINE-4(3H)-ONERefChem:475304634-029-01788-94-92-methyl-3-(2-nitrophenyl)quinazolin-4(3H)-one2-Methyl-3-(2-nitrophenyl)-4(3H)-quinazolinone2-methyl-3-(2-nitrophenyl)-3,4-dihydroquinazolin-4-oneOprea1_034081Oprea1_176316MLS000709323CHEMBL1350646DTXSID901379679
Show more names
2-methyl-3-(2-nitrophenyl)quinazolin-4-one4(3H)-Quinazolinone, 2-methyl-3-(2-nitrophenyl)-
HMS2591L20AKOS000540914NCGC00244992-01SMR000289990ST502158392-methyl-3-(2-nitrophenyl)-3-hydroquinazolin-4-one
Database identifiers
- CAS
1788-94-9- PubChem CID
- 63364
- DTXSID
DTXSID901379679- ChEMBL
CHEMBL1350646- EC Number
- 634-029-0
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Melting point
- 169 · 169-171 °C
- Boiling point
- 468.7 · 468.7±47.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 1.08 · 1.08±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · 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, P270, P301+P316, P321, P330, P405, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…