Product Name

  • Name

    Benzenemethanamine, 2,6-dichloro-a-methyl-,(S)-

  • EINECS
  • CAS No. 121443-79-6
  • Article Data2
  • CAS DataBase
  • Density 1.262 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H9Cl2N
  • Boiling Point 248.142 °C at 760 mmHg
  • Molecular Weight 190.07216
  • Flash Point 103.873 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 121443-79-6 (Benzenemethanamine, 2,6-dichloro-a-methyl-,(S)-)
  • Hazard Symbols
  • Synonyms Benzenemethanamine,2,6-dichloro-a-methyl-,(S)- (9CI);
  • PSA 26.02000
  • LogP 3.71340

Benzenemethanamine,2,6-dichloro-a-methyl-,(aS)- Specification

The CAS register number of Benzenemethanamine,2,6-dichloro-a-methyl-,(aS)- is 121443-79-6. It also can be called as Benzenemethanamine,2,6-dichloro-a-methyl-,(S)- (9CI) and the systematic name about this chemical is (1S)-1-(2,6-dichlorophenyl)ethanamine. The molecular formula about this chemical is C8H9Cl2N and the molecular weight is 190.07216. It belongs to the following product category which includes API intermediates.

Physical properties about Benzenemethanamine,2,6-dichloro-a-methyl-,(aS)- are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 0.285; (3)ACD/LogD (pH 7.4): 1.992; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 13.338; (6)ACD/KOC (pH 5.5): 2.827; (7)ACD/KOC (pH 7.4): 144.144; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 49.13 cm3; (14)Molar Volume: 150.578 cm3; (15)Polarizability: 19.477x10-24cm3; (16)Surface Tension: 41.989 dyne/cm; (17)Density: 1.262 g/cm3; (18)Flash Point: 103.873 °C; (19)Enthalpy of Vaporization: 48.532 kJ/mol; (20)Boiling Point: 248.142 °C at 760 mmHg; (21)Vapour Pressure: 0.025 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H](c1c(cccc1Cl)Cl)N
(2)InChI: InChI=1/C8H9Cl2N/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3/t5-/m0/s1
(3)InChIKey: NRWOZHOHRZOVDA-YFKPBYRVBW
(4)Std. InChI: InChI=1S/C8H9Cl2N/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3/t5-/m0/s1
(5)Std. InChIKey: NRWOZHOHRZOVDA-YFKPBYRVSA-N

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