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Benzene, 1-(difluoromethyl)-2,4-difluoro-

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  • Name Benzene, 1-(difluoromethyl)-2,4-difluoro-
  • EINECSN/A
  • CAS No. 845866-84-4
  • Density1.304 g/cm3
  • PSA0.00000
  • LogP2.90240
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H4F4
  • Boiling Point117.6 °C at 760 mmHg
  • Molecular Weight164.1
  • Flash Point24.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 845866-84-4 (1-DIFLUOROMETHYL-2,4-DIFLUOROBENZENE)
  • Hazard SymbolsN/A
  • SynonymsN/A

Benzene, 1-(difluoromethyl)-2,4-difluoro- Specification

The Benzene, 1-(difluoromethyl)-2,4-difluoro- has the CAS registry number 845866-84-4. This chemical's molecular formula is C7H4F4 and molecular weight is 164.1. What's more, its systematic name is 1-(difluoromethyl)-2,4-difluorobenzene.

Physical properties of Benzene, 1-(difluoromethyl)-2,4-difluoro- are: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 70.26; (6)ACD/BCF (pH 7.4): 70.26; (7)ACD/KOC (pH 5.5): 730.24; (8)ACD/KOC (pH 7.4): 730.24; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.414; (11)Molar Refractivity: 31.48 cm3; (12)Molar Volume: 125.8 cm3; (13)Polarizability: 12.48×10-24cm3; (14)Surface Tension: 23.1 dyne/cm; (15)Density: 1.304 g/cm3; (16)Flash Point: 24.6 °C; (17)Enthalpy of Vaporization: 34.11 kJ/mol; (18)Boiling Point: 117.6 °C at 760 mmHg; (19)Vapour Pressure: 20.7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)c1ccc(F)cc1F
(2)InChI: InChI=1S/C7H4F4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H
(3)InChIKey: AGQSCHMIJQCTJU-UHFFFAOYSA-N

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