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| CAS No.: | 19815-16-8 |
|---|---|
| Name: | 4-CHLORO-6-NITROQUINAZOLINE |
| Article Data: | 57 |
| Molecular Structure: | |
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| Formula: | C8H4ClN3O2 |
| Molecular Weight: | 209.592 |
| Synonyms: | 4-CHLORO-6-NITROQUINAZOLINE;Quinazoline,4-chloro-6-nitro- |
| Density: | 1.567 g/cm3 |
| Melting Point: | 128 °C |
| Boiling Point: | 379.959 °C at 760 mmHg |
| Flash Point: | 183.593 °C |
| Appearance: | Brown solid |
| PSA: | 71.60000 |
| LogP: | 2.71460 |
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Specification
The CAS register number of Quinazoline,4-chloro-6-nitro- is 19815-16-8. It also can be called as 4-Chloro-6-nitro-quinazoline and the IUPAC name about this chemical is 4-chloro-6-nitroquinazoline. The molecular formula about this chemical is C8H4ClN3O2 and the molecular weight is 209.59.
Physical properties about Quinazoline,4-chloro-6-nitro- are: (1)ACD/LogP: 1.41; (2)ACD/LogD (pH 5.5): 1.407; (3)ACD/LogD (pH 7.4): 1.407; (4)ACD/BCF (pH 5.5): 6.902; (5)ACD/BCF (pH 7.4): 6.903; (6)ACD/KOC (pH 5.5): 138.734; (7)ACD/KOC (pH 7.4): 138.734; (8)#H bond acceptors: 5 ; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 71.6Å2; (11)Index of Refraction: 1.7; (12)Molar Refractivity: 51.718 cm3; (13)Molar Volume: 133.789 cm3; (14)Polarizability: 20.503x10-24cm3; (15)Surface Tension: 72.767 dyne/cm; (16)Flash Point: 183.593 °C; (17)Enthalpy of Vaporization: 60.344 kJ/mol; (18)Boiling Point: 379.959 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1N(=O)=O)c(ncn2)Cl
(2)InChI: InChI=1/C8H4ClN3O2/c9-8-6-3-5(12(13)14)1-2-7(6)10-4-11-8/h1-4H
(3)InChIKey: LZOSFEDULGODDH-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H4ClN3O2/c9-8-6-3-5(12(13)14)1-2-7(6)10-4-11-8/h1-4H
(5)Std. InChIKey: LZOSFEDULGODDH-UHFFFAOYSA-N