Product Name

  • Name

    6-Nitro-7-Chloro-4-HydroxyQuinazoline

  • EINECS 678-360-9
  • CAS No. 53449-14-2
  • Article Data23
  • CAS DataBase
  • Density 1.706 g/cm3
  • Solubility
  • 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
  • Appearance
  • Safety 45
  • Risk Codes 25
  • Molecular Structure Molecular Structure of 53449-14-2 (6-Nitro-7-Chloro-4-HydroxyQuinazoline)
  • 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
  • PSA 91.83000
  • LogP 2.42020

7-Chloro-6-nitro-4-hydroxyquinazoline Specification

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

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