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Cas Database |
| Name |
4,7-Dichloro-6-nitroquinazoline |
EINECS | N/A |
| CAS No. | 162012-71-7 | Density | 1.674 g/cm3 |
| PSA | 71.60000 | LogP | 3.36800 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H3Cl2N3O2 | Boiling Point | 411.039 °C at 760 mmHg |
| Molecular Weight | 244.037 | Flash Point | 202.389 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4,7-Dichloro-6-nitroquinazoline |
Article Data | 24 |
4,7-Dichloro-6-nitroquinazoline Synthetic route
- 53449-14-2
7-chloro-6-nitro-4(3H)-quinazolinone
- 162012-71-7
4,7-dichloro-6-nitro-quinazoline
| Conditions | Yield |
|---|---|
| With thionyl chloride; N,N-dimethyl-formamide for 1h; Heating; | 99% |
| With thionyl chloride In N,N-dimethyl-formamide for 24h; Reflux; | 95% |
| With trichlorophosphate at 90℃; |
- 31374-18-2
7-chloro-3,4-dihydroquinazolin-4-one
- 162012-71-7
4,7-dichloro-6-nitro-quinazoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: HNO3; H2SO4 / 80 °C 2: POCl3 / 90 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 50 - 90 °C 2: phosphorus pentachloride / 3 h / 160 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 1 h / 90 °C 2: trichlorophosphate / 2 h / 90 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 1 h / 90 °C / Cooling with ice 2: triethylamine; trichlorophosphate / acetonitrile / 80 °C View Scheme | |
| Multi-step reaction with 2 steps 1: nitric acid; sulfuric acid / 20 - 45 °C 2: thionyl chloride / N,N-dimethyl-formamide / 2 h / Reflux View Scheme |
- 5900-59-4
2-amino-4-chlorobenzamide
- 162012-71-7
4,7-dichloro-6-nitro-quinazoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 12 N HCl 2: HNO3; H2SO4 / 80 °C 3: POCl3 / 90 °C View Scheme |
- 53449-14-2
7-Chloro-6-nitro-quinazolin-4-one
- 10026-13-8, 874483-75-7
phosphorus pentachloride
- 162012-71-7
4,7-dichloro-6-nitro-quinazoline
| Conditions | Yield |
|---|---|
| With trichlorophosphate | |
| With trichlorophosphate |
- 89-77-0
2-Amino-4-chlorobenzoic acid
- 162012-71-7
4,7-dichloro-6-nitro-quinazoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 2 h / Reflux 2: sulfuric acid; nitric acid / 50 - 90 °C 3: phosphorus pentachloride / 3 h / 160 °C View Scheme | |
| Multi-step reaction with 3 steps 1: water / Microwave irradiation 2: sulfuric acid; nitric acid / 1 h / 90 °C / Cooling with ice 3: triethylamine; trichlorophosphate / acetonitrile / 80 °C View Scheme | |
| Multi-step reaction with 3 steps 1: 2-methoxy-ethanol / 16 h / 120 °C 2: nitric acid; sulfuric acid / 20 - 45 °C 3: thionyl chloride / N,N-dimethyl-formamide / 2 h / Reflux View Scheme |
- 162012-71-7
4,7-dichloro-6-nitro-quinazoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium nitrate; sulfuric acid / 5 h / 0 - 100 °C 2: thionyl chloride; N,N-dimethyl-formamide / 24 h / Reflux View Scheme |
- 162012-71-7
4,7-dichloro-6-nitro-quinazoline
| Conditions | Yield |
|---|---|
| With thionyl chloride; N,N-dimethyl-formamide for 24h; Reflux; |
- 591-19-5
3-bromoaniline
- 162012-71-7
4,7-dichloro-6-nitro-quinazoline
- 171745-11-2
(3-Bromo-phenyl)-(7-chloro-6-nitro-quinazolin-4-yl)-amine
| Conditions | Yield |
|---|---|
| With hydrogenchloride In isopropyl alcohol for 0.5h; Heating; | 91% |
- 57946-56-2
2-fluoro-4-chloroaniline
- 162012-71-7
4,7-dichloro-6-nitro-quinazoline
- 205194-09-8
7-chloro-4-(4-chloro-2-fluoroanilino)-6-nitroquinazoline hydrochloride
| Conditions | Yield |
|---|---|
| In isopropyl alcohol | 90% |
- 367-21-5
3-chloro-4-fluorophenylamine
- 162012-71-7
4,7-dichloro-6-nitro-quinazoline
- 179552-73-9
4-((3-chloro-4-fluorophenyl)amino)-6-nitro-7-chloroquinazoline
| Conditions | Yield |
|---|---|
| In isopropyl alcohol for 12h; Reflux; | 90% |
| In 1,4-dioxane at 90℃; for 3h; | |
| In 1,4-dioxane | 13 g |
4,7-Dichloro-6-nitroquinazoline Specification
The 4, 7-Dichloro-6-nitroquinazoline has CAS registry number 162012-71-7. This chemical's molecular formula is C8H3Cl2N3O2 and molecular weight is 244.03. What's more, its systematic name is 4, 7-Dichloro-6-nitroquinazoline.
Physical properties about 4, 7-Dichloro-6-nitroquinazoline are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 285; (8)ACD/KOC (pH 7.4): 285; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å2; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 56.614 cm3; (15)Molar Volume: 145.74 cm3; (16)Polarizability: 22.443×10-24 cm3; (17)Surface Tension: 73.428 dyne/cm; (18)Density: 1.674 g/cm3; (19)Flash Point: 202.389 °C; (20)Enthalpy of Vaporization: 63.768 kJ/mol; (21)Boiling Point: 411.039 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2cc1c(ncnc1Cl)cc2Cl
(2) InChI: InChI=1/C8H3Cl2N3O2/c9-5-2-6-4(1-7(5)13(14)15)8(10)12-3-11-6/h1-3H
(3) InChIKey: VHFFODQAQLNACY-UHFFFAOYAU
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