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3-(Difluoromethoxy)aniline

  • Name 3-(Difluoromethoxy)aniline
  • EINECSN/A
  • CAS No. 22236-08-4
  • Density1.253 g/cm3
  • PSA35.25000
  • LogP2.45140
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H7F2NO
  • Boiling Point230.1 °C at 760 mmHg
  • Molecular Weight159.135
  • Flash Point92.9 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 22236-08-4 (3-(Difluoromethoxy)aniline)
  • Hazard SymbolsIrritantXi, ToxicT
  • SynonymsIrritantXi, ToxicT
  • Article Data1

3-(Difluoromethoxy)aniline Specification

The 3-(Difluoromethoxy)aniline, with its CAS registry number 22236-08-4, has other names as Benzenamine, 3-(difluoromethoxy)-. And its product categories are including Amines and Anilines; Amines; C7; Nitrogen Compounds.

The physical properties of this chemical are as below: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 3.43; (6)ACD/BCF (pH 7.4): 3.47; (7)ACD/KOC (pH 5.5): 83.71; (8)ACD/KOC (pH 7.4): 84.85; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 37.45 cm3; (15)Molar Volume: 126.9 cm3; (16)Polarizability: 14.84×10-24 cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.253 g/cm3; (19)Flash Point: 92.9 °C; (20)Enthalpy of Vaporization: 46.67 kJ/mol; (21)Boiling Point: 230.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0672 mmHg at 25°C.

When you are dealing with this chemical, you should be very careful. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is toxic which at low levels cause damage to health. Therefore, you should wear suitable protective clothing and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:FC(F)Oc1cccc(c1)N
(2)InChI:InChI=1/C7H7F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h1-4,7H,10H2
(3)InChIKey:RSOFZRXRIPVBBM-UHFFFAOYAN

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