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Name |
Benzenamine,2,4-dimethoxy-5-(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 228401-47-6 | Density | 1.276 g/cm3 |
PSA | 44.48000 | LogP | 2.88600 |
Solubility | N/A | Melting Point |
78-80 °C |
Formula | C9H10F3NO2 | Boiling Point | 291.4 °C at 760 mmHg |
Molecular Weight | 221.179 | Flash Point | 130 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2,4-Dimethoxy-5-(trifluoromethyl)aniline; |
The Benzenamine,2,4-dimethoxy-5-(trifluoromethyl)- has the CAS registry number 228401-47-6. This chemical's molecular formula is C9H10F3NO2 and molecular weight is 221.18. What's more, its systematic name is 2,4-dimethoxy-5-(trifluoromethyl)aniline.
Physical properties of Benzenamine,2,4-dimethoxy-5-(trifluoromethyl)- are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 216.24; (6)ACD/BCF (pH 7.4): 221.77; (7)ACD/KOC (pH 5.5): 1621.04; (8)ACD/KOC (pH 7.4): 1662.53; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 48.82 cm3; (15)Molar Volume: 173.2 cm3; (16)Polarizability: 19.35×10-24cm3; (17)Surface Tension: 29.4 dyne/cm; (18)Density: 1.276 g/cm3; (19)Flash Point: 130 °C; (20)Enthalpy of Vaporization: 53.08 kJ/mol; (21)Boiling Point: 291.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00196 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(OC)cc(OC)c(N)c1
(2)InChI: InChI=1S/C9H10F3NO2/c1-14-7-4-8(15-2)6(13)3-5(7)9(10,11)12/h3-4H,13H2,1-2H3
(3)InChIKey: RCOAFFRLRHZLJG-UHFFFAOYSA-N