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Name |
Benzenamine,4-methoxy-3-(trifluoromethyl)- |
EINECS | -0 |
CAS No. | 393-15-7 | Density | 1.28 g/cm3 |
PSA | 35.25000 | LogP | 2.87740 |
Solubility | N/A | Melting Point |
28 °C |
Formula | C8H8F3NO | Boiling Point | 112 °C |
Molecular Weight | 191.153 | Flash Point | 104.8 °C |
Transport Information | N/A | Appearance | Solid |
Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | Xi,T | |
Synonyms |
p-Anisidine,3-(trifluoromethyl)- (6CI,8CI);3-Amino-6-methoxybenzotrifluoride;4-(Methyloxy)-5-(trifluoromethyl)aniline;4-Methoxy-3-(trifluoromethyl)aniline;4-Methoxy-3-trifluoromethylphenylamine;4-Methoxy-5-trifluoromethylaniline;5-Amino-2-methoxybenzotrifluoride; |
Article Data | 13 |
The Benzenamine,4-methoxy-3-(trifluoromethyl)- is an organic compound with the formula C8H8F3NO. The IUPAC name of this chemical is 4-methoxy-3-(trifluoromethyl)aniline. With the CAS registry number 393-15-7, it is also named as 3-Trifluoromethyl-p-anisidine.
Physical properties about Benzenamine,4-methoxy-3-(trifluoromethyl)- are: (1)ACD/LogP: 2.66; (2)ACD/LogD (pH 5.5): 2.65; (3)ACD/LogD (pH 7.4): 2.66; (4)ACD/BCF (pH 5.5): 60.21; (5)ACD/BCF (pH 7.4): 61.98; (6)ACD/KOC (pH 5.5): 648.46; (7)ACD/KOC (pH 7.4): 667.51; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.476; (13)Molar Refractivity: 42.14 cm3; (14)Molar Volume: 149.2 cm3; (15)Polarizability: 16.7×10-24cm3; (16)Surface Tension: 29.2 dyne/cm; (17)Density: 1.28 g/cm3; (18)Flash Point: 104.8 °C; (19)Enthalpy of Vaporization: 48.69 kJ/mol; (20)Boiling Point: 249.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0226 mmHg at 25°C.
Uses of Benzenamine,4-methoxy-3-(trifluoromethyl)-: it can be used to produce 2-(4-methoxy-3-trifluoromethyl-phenylamino)-benzoic acid by heating. It will need reagent N-methylmorpholine and solvent dioxane with reaction time of 16 hours. The yield is about 41%.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1OC)N
(2)InChI: InChI=1/C8H8F3NO/c1-13-7-3-2-5(12)4-6(7)8(9,10)11/h2-4H,12H2,1H3
(3)InChIKey: CQJCPOVTPNWVBW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H8F3NO/c1-13-7-3-2-5(12)4-6(7)8(9,10)11/h2-4H,12H2,1H3
(5)Std. InChIKey: CQJCPOVTPNWVBW-UHFFFAOYSA-N