Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
7-Chloro-6-nitro-4-hydroxyquinazoline |
EINECS | 678-360-9 |
CAS No. | 53449-14-2 | Density | 1.706 g/cm3 |
PSA | 91.83000 | LogP | 2.42020 |
Solubility | N/A | Melting Point |
314-319℃ |
Formula | C8H4ClN3O3 | Boiling Point | 457.671 °C at 760 mmHg |
Molecular Weight | 225.591 | Flash Point | 230.591 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
6-Nitro-7-Chloro-4-HydroxyQuinazoline;7-CHLORO 6-NITRO QUINAZOLINE 4-OL;7-Chloro-6-nitro-4-hydroxyquinazoline;6-Nitro-7-chloro-3,4-dihydroquinazolin-4-one;7-Chloro-1,4-dihydro-6-nitro-4-oxoquinazoline;7-Chloro-6-nitroquinazolin-4(1H)-one;7-Chloro-6-nitro-4-quinazolinol;7-Chloro-6-nitro-3H-quinazolin-4-one |
Article Data | 23 |
The 6-Nitro-7-Chloro-4-HydroxyQuinazoline, with CAS registry number 53449-14-2, is also called 4(3H)-Quinazolinone, 7-chloro-6-nitro-. Besides this, this chemical's molecular formula is C8H4ClN3O3 and molecular weight is 225.5887. Its systematic name is 7-chloro-6-nitro-quinazolin-4-ol.
Physical properties of 6-Nitro-7-Chloro-4-HydroxyQuinazoline: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 87.28 Å2; (11)Index of Refraction: 1.756; (12)Molar Refractivity: 51.533 cm3; (13)Molar Volume: 125.759 cm3; (14)Polarizability: 20.429×10-24cm3; (15)Surface Tension: 77.498 dyne/cm; (16)Density: 1.794 g/cm3; (17)Flash Point: 261.874 °C; (18)Enthalpy of Vaporization: 77.993 kJ/mol; (19)Boiling Point: 509.396 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c(cc(c1[N+](=O)[O-])Cl)ncnc2O
(2)InChI: InChI=1/C8H4ClN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13)
(3)InChIKey: URDYTQYZXZKBQT-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H4ClN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13)
(5)Std. InChIKey: URDYTQYZXZKBQT-UHFFFAOYSA-N