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Phenol,6-amino-2,3-difluoro-

  • Name Phenol,6-amino-2,3-difluoro-
  • EINECSN/A
  • CAS No. 115551-33-2
  • Density1.472 g/cm3
  • PSA46.25000
  • LogP1.83380
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC6H5F2NO
  • Boiling Point229.4 °C at 760 mmHg
  • Molecular Weight145.109
  • Flash Point92.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk Codes Xi:;
  • Molecular Structure
    Molecular Structure of 115551-33-2 (6-AMINO-2 3-DIFLUOROPHENOL)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data13

Phenol,6-amino-2,3-difluoro- Specification

The Phenol,6-amino-2,3-difluoro- is an organic compound with the formula C6H5F2NO. The systematic name of this chemical is 6-amino-2,3-difluorophenol. With the CAS registry number 115551-33-2, it is also named as 4-Amino-3-(trifluoromethyl)anisole. The product's category is Benzene Series.

Physical properties about Phenol,6-amino-2,3-difluoro- are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.55; (3)ACD/LogD (pH 7.4): 1.34; (4)ACD/BCF (pH 5.5): 8.62; (5)ACD/BCF (pH 7.4): 5.32; (6)ACD/KOC (pH 5.5): 158.41; (7)ACD/KOC (pH 7.4): 97.76; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 32.35 cm3; (14)Molar Volume: 98.5 cm3; (15)Polarizability: 12.82×10-24cm3; (16)Surface Tension: 50.2 dyne/cm; (17)Density: 1.472 g/cm3; (18)Flash Point: 92.5 °C; (19)Enthalpy of Vaporization: 48.49 kJ/mol; (20)Boiling Point: 229.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0463 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)c(O)c(N)cc1
(2)InChI: InChI=1/C6H5F2NO/c7-3-1-2-4(9)6(10)5(3)8/h1-2,10H,9H2
(3)InChIKey: KRURHZHJEDNBCM-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H5F2NO/c7-3-1-2-4(9)6(10)5(3)8/h1-2,10H,9H2
(5)Std. InChIKey: KRURHZHJEDNBCM-UHFFFAOYSA-N

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