Product Name

  • Name

    Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaR)- (9CI)

  • EINECS
  • CAS No. 321318-15-4
  • Article Data8
  • CAS DataBase
  • Density 1.163 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H9F2N
  • Boiling Point 186.1 °C at 760 mmHg
  • Molecular Weight 157.163
  • Flash Point 81.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 321318-15-4 (Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaR)- (9CI))
  • Hazard Symbols Xn
  • Synonyms Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaR)- (9CI);
  • PSA 26.02000
  • LogP 2.68480

Benzenemethanamine,3,4-difluoro-a-methyl-,(aR)- Specification

The CAS register number of Benzenemethanamine,3,4-difluoro-a-methyl-,(aR)- is 321318-15-4. It also can be called as Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaR)- (9CI) and the IUPAC name about this chemical is (1R)-1-(3,4-difluorophenyl)ethanamine. The molecular formula about this chemical is C8H9F2N and the molecular weight is 157.1605664. It belongs to the following product category which includes Halide.

Physical properties about Benzenemethanamine,3,4-difluoro-a-methyl-,(aR)- are: (1)ACD/LogP: 1.45; (2)ACD/LogD (pH 5.5): -1.59; (3)ACD/LogD (pH 7.4): -0.51; (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): 1.59; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 39.32 cm3; (14)Molar Volume: 135 cm3; (15)Polarizability: 15.59x10-24cm3; (16)Surface Tension: 33.8 dyne/cm; (17)Density: 1.163 g/cm3; (18)Flash Point: 81.4 °C; (19)Enthalpy of Vaporization: 42.23 kJ/mol; (20)Boiling Point: 186.1 °C at 760 mmHg; (21)Vapour Pressure: 0.676 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1F)[C@H](N)C
(2)InChI: InChI=1/C8H9F2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m1/s1
(3)InChIKey: AESHLRAPTJZOJL-RXMQYKEDBM
(4)Std. InChI: InChI=1S/C8H9F2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m1/s1
(5)Std. InChIKey: AESHLRAPTJZOJL-RXMQYKEDSA-N

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