3,5-Difluoro-4-methoxybenzylamine supplier

Name
3,5-DIFLUORO-4-METHOXYBENZYLAMINE
EINECS
CAS No. 105969-16-2
Article Data3
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point
Formula C₈H₉F₂NO
Boiling Point 231.6 °C at 760 mmHg
Molecular Weight 173.162
Flash Point 93.9 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 3,5-Difluoro-4-methoxybenzylamine;
PSA 35.25000
LogP 2.13240

3,5-Difluoro-4-methoxybenzylamine 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

Product Name

3,5-DIFLUORO-4-METHOXYBENZYLAMINE

3,5-Difluoro-4-methoxybenzylamine Specification

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