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| CAS No.: | 19815-17-9 |
|---|---|
| Name: | 4-CHLORO-7-NITROQUINAZOLINE |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C8H4ClN3O2 |
| Molecular Weight: | 209.592 |
| Synonyms: | 4-CHLORO-7-NITROQUINAZOLINE;AKOS 91177;Quinazoline, 4-chloro-7-nitro- |
| Density: | 1.567 g/cm3 |
| Melting Point: | 146-147℃ |
| Boiling Point: | 379.959 °C at 760 mmHg |
| Flash Point: | 183.593 °C |
| PSA: | 71.60000 |
| LogP: | 2.71460 |
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- Total:36 Page 1 of 1 1
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Specification
The CAS register number of Quinazoline,4-chloro-7-nitro- is 19815-17-9.The systematic name about this chemical is 4-chloro-7-nitroquinazoline. The molecular formula about this chemical is C8H4ClN3O2 and the molecular weight is 209.58926.
Physical properties about Quinazoline,4-chloro-7-nitro- are: (1)ACD/LogP: 1.41; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 71.6Å2; (5)Index of Refraction: 1.7; (6)Molar Refractivity: 51.71 cm3; (7)Molar Volume: 133.7 cm3; (8)Polarizability: 20.5x10-24cm3; (9)Surface Tension: 72.7 dyne/cm; (10)Flash Point: 183.6 °C; (11)Enthalpy of Vaporization: 60.34 kJ/mol; (12)Boiling Point: 380 °C at 760 mmHg; (13)Vapour Pressure: 1.23E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc1c(ncnc1Cl)c2
(2)InChI: InChI=1/C8H4ClN3O2/c9-8-6-2-1-5(12(13)14)3-7(6)10-4-11-8/h1-4H
(3)InChIKey: CCCGYXZEVXWXAU-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H4ClN3O2/c9-8-6-2-1-5(12(13)14)3-7(6)10-4-11-8/h1-4H
(5)Std. InChIKey: CCCGYXZEVXWXAU-UHFFFAOYSA-N