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CAS No.: | 62158-95-6 |
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Name: | 4-methoxy-N-(2,2,2-trifluoroethyl)aniline |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C9H10F3NO |
Molecular Weight: | 205.18 |
Synonyms: | (4-Methoxyphenyl)(2,2,2-trifluoroethyl)amine;4-Methoxy-N-(2,2,2-trifluoroethyl)aniline; |
Density: | 1.237 g/cm3 |
Boiling Point: | 236.6 °C at 760 mmHg |
Flash Point: | 96.9 °C |
Hazard Symbols: | N |
Risk Codes: | 51/53 |
Safety: | 61 |
PSA: | 21.26000 |
LogP: | 2.74240 |
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The Benzenamine, 4-methoxy-N-(2,2,2-trifluoroethyl)- has the CAS registry number 62158-95-6. This chemical's molecular formula is C9H10F3NO and molecular weight is 205.18. What's more, its systematic name is 4-methoxy-N-(2,2,2-trifluoroethyl)aniline.
Physical properties of Benzenamine, 4-methoxy-N-(2,2,2-trifluoroethyl)- are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 21.26 Å2; (9)Index of Refraction: 1.486; (10)Molar Refractivity: 47.63 cm3; (11)Molar Volume: 165.7 cm3; (12)Polarizability: 18.88×10-24cm3; (13)Surface Tension: 29.4 dyne/cm; (14)Density: 1.237 g/cm3; (15)Flash Point: 96.9 °C; (16)Enthalpy of Vaporization: 47.34 kJ/mol; (17)Boiling Point: 236.6 °C at 760 mmHg; (18)Vapour Pressure: 0.047 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)NCC(F)(F)F
(2)InChI: InChI=1S/C9H10F3NO/c1-14-8-4-2-7(3-5-8)13-6-9(10,11)12/h2-5,13H,6H2,1H3
(3)InChIKey: JHQJGUVEMQTBRL-UHFFFAOYSA-N