This chemical is called Benzenemethanamine, 4-(difluoromethoxy)-, and its CAS registry number is 177842-14-7. With the molecular formula of C8H9F2NO, its product category is Methoxy. In addition, this chemical should be sealed in the cool and dry place, away from oxides, water and acid.
Other characteristics of the Benzenemethanamine, 4-(difluoromethoxy)- can be summarised as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.82; (4)ACD/LogD (pH 7.4): -0.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.74; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 41.66 cm3; (15)Molar Volume: 144.6 cm3; (16)Polarizability: 16.51×10-24cm3; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 91.3 °C; (20)Enthalpy of Vaporization: 46.39 kJ/mol; (21)Boiling Point: 227.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0781 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)Oc1ccc(cc1)CN
2.InChI: InChI=1/C8H9F2NO/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8H,5,11H2
3.InChIKey: UHWPLNHRROQPMB-UHFFFAOYAU
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