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Benzenemethanamine,3,5-difluoro-4-methoxy- (105969-16-2)

Identification
Name:Benzenemethanamine,3,5-difluoro-4-methoxy-
Synonyms:3,5-Difluoro-4-methoxybenzylamine;
CAS:105969-16-2
Molecular Formula: C8H9F2NO
Molecular Weight: 173.16
InChI: InChI=1/C8H9F2NO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,4,11H2,1H3
Molecular Structure: (C8H9F2NO) 3,5-Difluoro-4-methoxybenzylamine;
Properties
Density:1.22 g/cm3
Refractive index:1.495
Specification:

The cas register number of 3,5-Difluoro-4-methoxybenzylamine is 105969-16-2. It also can be called as benzenemethanamine, 3,5-difluoro-4-methoxy- and the Systematic name about this chemical is (3,5-difluoro-4-methoxyphenyl)methanamine.

Physical properties about 3,5-Difluoro-4-methoxybenzylamine are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.42; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.25Å2; (11)Index of Refraction: 1.495; (12)Molar Refractivity: 41.37 cm3; (13)Molar Volume: 141.8 cm3; (14)Surface Tension: 34.6 dyne/cm; (15)Density: 1.22 g/cm3; (16)Flash Point: 93.9 °C; (17)Enthalpy of Vaporization: 46.83 kJ/mol; (18)Boiling Point: 231.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0617 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: Fc1cc(cc(F)c1OC)CN
2.InChI: InChI=1/C8H9F2NO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,4,11H2,1H3 
3.InChIKey: MCQREBXBVNPGJZ-UHFFFAOYAU
4.Std. InChI: InChI=1S/C8H9F2NO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,4,11H2,1H3

Packinggroup: III
Sensitive: Air Sensitive
Safety Data