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CAS No.: | 349-55-3 |
---|---|
Name: | 3-Methoxy-5-(trifluoromethyl)aniline |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H8F3NO |
Molecular Weight: | 191.153 |
Synonyms: | m-Anisidine,5-(trifluoromethyl)- (8CI);(3-Methoxy-5-trifluoromethylphenyl)amine;3-(Trifluoromethyl)-5-methoxyaniline;3-Methoxy-5-(trifluoromethyl)benzenamine;5-Methoxy-3-(trifluoromethyl)aniline;5-Methoxy-3-trifluoromethylbenzenamine; |
EINECS: | 206-487-8 |
Density: | 1.28 g/cm3 |
Melting Point: | 50-52 °C(lit.) |
Boiling Point: | 242 °C at 760 mmHg |
Flash Point: | 100.2 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-37/39 |
PSA: | 35.25000 |
LogP: | 2.87740 |
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The Benzenamine,3-methoxy-5-(trifluoromethyl)-, with CAS registry number 349-55-3, belongs to the following product categories: (1)Amines and Anilines; (2)Anilines, Aromatic Amines and Nitro Compounds. It has the systematic name of 3-methoxy-5-(trifluoromethyl)aniline. What's more, its EINECS is 206-487-8.
Physical properties of Benzenamine,3-methoxy-5-(trifluoromethyl)-: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 75.86; (6)ACD/BCF (pH 7.4): 76.07; (7)ACD/KOC (pH 5.5): 770.88; (8)ACD/KOC (pH 7.4): 773.02; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 42.14 cm3; (15)Molar Volume: 149.2 cm3; (16)Polarizability: 16.7×10-24cm3; (17)Surface Tension: 29.2 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 100.2 °C; (20)Enthalpy of Vaporization: 47.9 kJ/mol; (21)Boiling Point: 242 °C at 760 mmHg; (22)Vapour Pressure: 0.0348 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,3-methoxy-5-(trifluoromethyl)- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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)(F)c1cc(OC)cc(N)c1
(2)InChI: InChI=1/C8H8F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4H,12H2,1H3
(3)InChIKey: VTFGJEYZCUWSAM-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H8F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4H,12H2,1H3
(5)Std. InChIKey: VTFGJEYZCUWSAM-UHFFFAOYSA-N