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Cas Database |
| Name |
8-Nitro-1H-quinazolin-4-one |
EINECS | N/A |
| CAS No. | 53638-54-3 | Density | 1.64 g/cm3 |
| PSA | 91.83000 | LogP | 1.76680 |
| Solubility | N/A | Melting Point |
248 °C |
| Formula | C8H5N3O3 | Boiling Point | 393 °C at 760 mmHg |
| Molecular Weight | 191.146 | Flash Point | 191.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
8-Nitroquinazolin-4-ol; |
Article Data | 11 |
8-Nitro-1H-quinazolin-4-one Synthetic route
- 606-18-8
3-nitroanthranilic acid
- 77287-34-4, 77287-35-5, 60100-09-6
formamide
- 53638-54-3
8-nitroquinazoline-4(3H)-one
| Conditions | Yield |
|---|---|
| at 140℃; | 79% |
| at 210℃; | |
| With trichlorophosphate at 100℃; |
- 313279-12-8
2-amino-3-nitro-benzamide
- 4637-24-5
N,N-dimethyl-formamide dimethyl acetal
A
- 53638-54-3
8-nitroquinazoline-4(3H)-one
B
- 221448-39-1
3-methyl-8-nitroquinazolin-4-one
| Conditions | Yield |
|---|---|
| In tetrahydrofuran for 16h; | A 19% B 21% C n/a D n/a |
- 606-18-8
3-nitroanthranilic acid
- 53638-54-3
8-nitroquinazoline-4(3H)-one
| Conditions | Yield |
|---|---|
| With formamide In 2-methoxy-ethanol at 200℃; for 17h; | 14% |
- 606-18-8
3-nitroanthranilic acid
- 6313-33-3
formamidine hydrochloride
- 53638-54-3
8-nitroquinazoline-4(3H)-one
| Conditions | Yield |
|---|---|
| at 200℃; |
- 18503-89-4
N,N-dimethylformamide diisopropyl acetal
- 313279-12-8
2-amino-3-nitro-benzamide
A
- 53638-54-3
8-nitroquinazoline-4(3H)-one
B
- 221448-39-1
3-methyl-8-nitroquinazolin-4-one
D
- 1332493-34-1
8-nitro-3-(prop-2-yl)quinazolin-4-one
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 150℃; |
- 606-18-8
3-nitroanthranilic acid
A
- 53638-54-3
8-nitroquinazoline-4(3H)-one
B
- 221448-39-1
3-methyl-8-nitroquinazolin-4-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: thionyl chloride / tetrahydrofuran; N,N-dimethyl-formamide / 16 h 2: tetrahydrofuran / 16 h View Scheme |
- 606-18-8
3-nitroanthranilic acid
A
- 53638-54-3
8-nitroquinazoline-4(3H)-one
B
- 221448-39-1
3-methyl-8-nitroquinazolin-4-one
D
- 1332493-34-1
8-nitro-3-(prop-2-yl)quinazolin-4-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: thionyl chloride / tetrahydrofuran; N,N-dimethyl-formamide / 16 h 2: N,N-dimethyl-formamide / 150 °C View Scheme |
| Conditions | Yield |
|---|---|
| at 150℃; for 2h; Sealed tube; | 1.8 g |
| Conditions | Yield |
|---|---|
| at 140℃; | 79% |
| at 210℃; | |
| With trichlorophosphate at 100℃; |
- 53638-54-3
8-nitroquinazoline-4(3H)-one
- 8-aminoquinazolin-4(3H)-one
- 130148-49-1
8-aminoquinazolin-4(3H)-one
| Conditions | Yield |
|---|---|
| With stannous chloride dihydrate In ethyl acetate for 8h; Reflux; | 72% |
| With methanol; nickel Hydrogenation; | |
| With sodium sulfide; water | |
| With 10% palladium on carbon; hydrogen In methanol; N,N-dimethyl-formamide |
8-Nitro-1H-quinazolin-4-one Specification
The 8-Nitro-1H-quinazolin-4-one, with the CAS registry number 53638-54-3, is also known as 4-Quinazolinol, 8-nitro-. This chemical's molecular formula is C8H5N3O3 and molecular weight is 191.14. Its systematic name is called 8-nitroquinazolin-4(1H)-one.
Physical properties of 8-Nitro-1H-quinazolin-4-one: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 5.5): 1.02; (3)ACD/LogD (pH 7.4): 1.02; (4)ACD/BCF (pH 5.5): 3.52; (5)ACD/BCF (pH 7.4): 3.52; (6)ACD/KOC (pH 5.5): 85.59; (7)ACD/KOC (pH 7.4): 85.59; (8)#H bond acceptors: 6#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.739; (11)Molar Refractivity: 46.93 cm3; (12)Molar Volume: 116.4 cm3; (13)Surface Tension: 76.5 dyne/cm; (14)Density: 1.64 g/cm3; (15)Flash Point: 191.5 °C; (16)Enthalpy of Vaporization: 64.28 kJ/mol; (17)Boiling Point: 393 °C at 760 mmHg; (18)Vapour Pressure: 2.2E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2c1N/C=N\C2=O
(2)InChI: InChI=1/C8H5N3O3/c12-8-5-2-1-3-6(11(13)14)7(5)9-4-10-8/h1-4H,(H,9,10,12)
(3)InChIKey: FECQXFFMBXNHLB-UHFFFAOYAV
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