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Quinazoline,4-chloro-2-(trifluoromethyl)-

  • Name Quinazoline,4-chloro-2-(trifluoromethyl)-
  • EINECSN/A
  • CAS No. 52353-35-2
  • Density1.496 g/cm3
  • PSA25.78000
  • LogP3.30200
  • SolubilityN/A
  • Melting Point65-68 °C
  • FormulaC9H4ClF3N2
  • Boiling Point171.2 °C at 760 mmHg
  • Molecular Weight232.592
  • Flash Point57.3 °C
  • Transport InformationN/A
  • Appearancepowder
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 52353-35-2 (4-CHLORO-2-(TRIFLUOROMETHYL)QUINAZOLINE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data16

Quinazoline,4-chloro-2-(trifluoromethyl)- Specification

The Quinazoline,4-chloro-2-(trifluoromethyl)-, with CAS registry number 52353-35-2, has the systematic name of 4-chloro-2-(trifluoromethyl)quinazoline. Its molecular formula is C9H4ClF3N2 and its molecular weight is 232.59. However, this chemical is powder and it should be sealed in the cool and dry place where the room is ventilated.

Other characteristics of the Quinazoline,4-chloro-2-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 72.37; (6)ACD/BCF (pH 7.4): 72.37; (7)ACD/KOC (pH 5.5): 745.87; (8)ACD/KOC (pH 7.4): 745.87; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 50.15 cm3; (15)Molar Volume: 155.4 cm3; (16)Polarizability: 19.88×10-24cm3; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.496 g/cm3; (19)Flash Point: 57.3 °C; (20)Enthalpy of Vaporization: 39.08 kJ/mol; (21)Boiling Point: 171.2 °C at 760 mmHg; (22)Vapour Pressure: 1.88 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2nc1c(cccc1)c(Cl)n2
(2)InChI: InChI=1/C9H4ClF3N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H
(3)InChIKey: DLJSNOYNVQOJLU-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H4ClF3N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H
(5)Std. InChIKey: DLJSNOYNVQOJLU-UHFFFAOYSA-N

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