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CAS No.: | 69411-68-3 |
---|---|
Name: | 4-Amino-2-fluorobenzotrifluoride |
Molecular Structure: | |
Formula: | C7H5F4N |
Molecular Weight: | 179.1149 |
Synonyms: | 3-Fluoro-4-(trifluoromethyl)aniline;3-Fluoro-4-trifluoromethylphenylamine;4-Amino-2-fluorobenzotrifluoride; |
Density: | 1.383 g/cm3 |
Melting Point: | 55°C |
Boiling Point: | 203.8 °C at 760 mmHg |
Flash Point: | 93.8 °C |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 26.02000 |
LogP: | 3.00790 |
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The Benzenamine,3-fluoro-4-(trifluoromethyl)-, with CAS registry number 69411-68-3, has the systematic name of 3-fluoro-4-(trifluoromethyl)aniline. This chemical belongs to the following product category: Anilines, Aromatic Amines and Nitro Compounds. And the chemical formula of this chemical is C7H5F4N.
Physical properties of Benzenamine,3-fluoro-4-(trifluoromethyl)-: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.87; (6)ACD/BCF (pH 7.4): 40.88; (7)ACD/KOC (pH 5.5): 495.51; (8)ACD/KOC (pH 7.4): 495.6; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 35.46 cm3; (15)Molar Volume: 129.4 cm3; (16)Polarizability: 14.05×10-24cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Enthalpy of Vaporization: 44 kJ/mol; (19)Vapour Pressure: 0.272 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,3-fluoro-4-(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: Fc1c(ccc(N)c1)C(F)(F)F
(2)InChI: InChI=1/C7H5F4N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2
(3)InChIKey: CRRVZRDISHOQQL-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H5F4N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2
(5)Std. InChIKey: CRRVZRDISHOQQL-UHFFFAOYSA-N