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CAS No.: | 886500-75-0 |
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Name: | 2,3-DIFLUORO-4-METHOXYBENZYLAMINE |
Molecular Structure: | |
Formula: | C8H9F2NO |
Molecular Weight: | 173.162 |
Synonyms: | 2,3-Difluoro-4-methoxybenzylamine; |
Density: | 1.22 g/cm3 |
Melting Point: | 32-35℃ |
Boiling Point: | 223.1 °C at 760 mmHg |
Flash Point: | 88.7 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 35.25000 |
LogP: | 2.13240 |
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The 2,3-Difluoro-4-methoxybenzylamine with the cas number 886500-75-0 is also called Benzenemethanamine,2,3-difluoro-4-methoxy-. The systematic name is 1-(2,3-difluoro-4-methoxyphenyl)methanamine. Its molecular formula is C8H9F2NO. This chemical is sensitive to air.
The properties of the chemical are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.495; (8)Molar Refractivity: 41.37 cm3; (9)Molar Volume: 141.8 cm3; (10)Polarizability: 16.4×10-24cm3; (11)Surface Tension: 34.6 dyne/cm; (12)Enthalpy of Vaporization: 45.96 kJ/mol; (13)Vapour Pressure: 0.0982 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)c(ccc1OC)CN
(2)InChI: InChI=1/C8H9F2NO/c1-12-6-3-2-5(4-11)7(9)8(6)10/h2-3H,4,11H2,1H3
(3)InChIKey: DBQHLJOOMYBKNQ-UHFFFAOYAQ