Product Name

  • Name

    (2,3-Dichlorobenzyl)methylamine

  • EINECS
  • CAS No. 731827-07-9
  • Article Data2
  • CAS DataBase
  • Density 1.226 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H9Cl2N
  • Boiling Point 242.8 °C at 760 mmHg
  • Molecular Weight 190.072
  • Flash Point 100.7 °C
  • Transport Information
  • Appearance
  • Safety 26-39
  • Risk Codes 37/38-41-51
  • Molecular Structure Molecular Structure of 731827-07-9 ((2,3-Dichlorobenzyl)methylamine)
  • Hazard Symbols Xi
  • Synonyms (2,3-DICHLOROBENZYL)METHYLAMINE;(2,3-dichlorophenyl)-N-methylmethanamine;N-(2,3-Dichlorobenzyl)-N-methylamine
  • PSA 12.03000
  • LogP 3.10370

(2,3-Dichlorobenzyl)methylamine Specification

The (2,3-Dichlorobenzyl)methylamine is an organic compound with the formula C8H9Cl2N. The systematic name of this chemical is 1-(2,3-dichlorophenyl)-N-methylmethanamine. With the CAS registry number 731827-07-9, it is also named as benzenemethanamine, 2,3-dichloro-N-methyl-. In addition, the molecular weight is 190.07.

The other characteristics of (2,3-Dichlorobenzyl)methylamine can be summarized as: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.43; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 38.43; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 49.18 cm3; (15)Molar Volume: 154.9 cm3; (16)Polarizability: 19.49×10-24 cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.226 g/cm3; (19)Flash Point: 100.7 °C; (20)Enthalpy of Vaporization: 47.98 kJ/mol; (21)Boiling Point: 242.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0332 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:Clc1c(cccc1Cl)CNC
2. InChI:InChI=1/C8H9Cl2N/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3
3. InChIKey:GPHWXLUNCPECQB-UHFFFAOYAG
4. Std. InChI:InChI=1S/C8H9Cl2N/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3
5. Std. InChIKey:GPHWXLUNCPECQB-UHFFFAOYSA-N

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