Product Name

  • Name

    6-chloropyrido[3,2-d]pyrimidin-4(3H)-one

  • EINECS 604-604-1
  • CAS No. 171178-33-9
  • Article Data11
  • CAS DataBase
  • Density 1.668 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H4ClN3O
  • Boiling Point 400.766 °C at 760 mmHg
  • Molecular Weight 181.581
  • Flash Point 196.176 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 171178-33-9 (6-chloropyrido[3,2-d]pyrimidin-4(3H)-one)
  • Hazard Symbols
  • Synonyms 6-chloropyrido[3,2-d]pyrimidin-4(3H)-one;6-chloro-3H,4H-pyrido[3,2-d]pyriMidin-4-one;6-Chloropyrido[3,2-d]pyrimidin-4(1H)-one
  • PSA 58.64000
  • LogP 0.97150

6-Chloro-pyrido[3,2-d]pyrimidin-4(3H)-one Specification

The 6-Chloro-pyrido[3,2-d]pyrimidin-4(3H)-one is an organic compound with the formula C7H4ClN3O. The IUPAC name of this chemical is 6-Chloro-1H-pyrido[3,2-d]pyrimidin-4-one. With the CAS registry number 171178-33-9, it is also named as Pyrido[3,2-d]pyrimidin-4(3H)-one, 6-chloro-. Besides, its molecular weight is 181.5792.

Physical properties about 6-Chloro-pyrido[3,2-d]pyrimidin-4(3H)-one are: (1)ACD/LogP: 0.67; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 22; (5)ACD/KOC (pH 7.4): 22; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)Polar Surface Area: 54.35 Å2; (9)Index of Refraction: 1.749; (10)Molar Refractivity: 44.318 cm3; (11)Molar Volume: 108.881 cm3; (12)Polarizability: 17.569×10-24 cm3; (13)Surface Tension: 64.716 dyne/cm; (14)Density: 1.668 g/cm3; (15)Flash Point: 196.176 °C; (16)Enthalpy of Vaporization: 65.168 kJ/mol; (17)Boiling Point: 400.766 °C at 760 mmHg. 

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H4ClN3O/c8-5-2-1-4-6(11-5)7(12)10-3-9-4/h1-3H,(H,9,10,12)
(2)InChIKey: YAALXPGJSHTRFX-UHFFFAOYAY
(3)Std. InChI: InChI=1S/C7H4ClN3O/c8-5-2-1-4-6(11-5)7(12)10-3-9-4/h1-3H,(H,9,10,12)
(4)Std. InChIKey: YAALXPGJSHTRFX-UHFFFAOYSA-N

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