Product Name

  • Name

    Benzenemethanamine, 3-(difluoromethoxy)- (9CI)

  • EINECS
  • CAS No. 244022-71-7
  • Density 1.196 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H9F2NO
  • Boiling Point 226.8 °C at 760 mmHg
  • Molecular Weight 173.162
  • Flash Point 91 °C
  • Transport Information UN2735
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 244022-71-7 (Benzenemethanamine, 3-(difluoromethoxy)- (9CI))
  • Hazard Symbols
  • Synonyms 3-(Difluoromethoxy)benzylamine;[3-(Difluoromethoxy)phenyl]methanamine;[[3-[(Difluoromethyl)oxy]phenyl]methyl]amine;Benzenemethanamine, 3-(difluoromethoxy)- (9CI);
  • PSA 35.25000
  • LogP 2.44700

3-(Difluoromethoxy)benzylamine Specification

The CAS register number of Benzenemethanamine,3-(difluoromethoxy)- is 244022-71-7. It also can be called as [3-(difluoromethoxy)phenyl]methanamine and the IUPAC name about this chemical is [3-(difluoromethoxy)phenyl]methanamine. The molecular formula about this chemical is C8H9F2NO and the molecular weight is 173.1599664. It belongs to the following product categories which include Methoxy; Anilines, Aromatic Amines and Nitro Compounds and so on.

Physical properties about Benzenemethanamine,3-(difluoromethoxy)- are: (1)ACD/LogP: 1.18; (2)ACD/LogD (pH 5.5): -1.81; (3)ACD/LogD (pH 7.4): -0.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.92; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.487; (13)Molar Refractivity: 41.66 cm3; (14)Molar Volume: 144.6 cm3; (15)Polarizability: 16.51x10-24cm3; (16)Surface Tension: 32.7 dyne/cm; (17)Density: 1.196 g/cm3; (18)Flash Point: 91 °C; (19)Enthalpy of Vaporization: 46.34 kJ/mol; (20)Boiling Point: 226.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0801 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)Oc1cc(ccc1)CN
(2)InChI: InChI=1/C8H9F2NO/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8H,5,11H2
(3)InChIKey: SYAQBBDPVPDVLJ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H9F2NO/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8H,5,11H2
(5)Std. InChIKey: SYAQBBDPVPDVLJ-UHFFFAOYSA-N

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