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CAS No.: | 207919-06-0 |
---|---|
Name: | 4-FLUORO-2-(TRIFLUOROMETHYL)BENZAMIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H5F4NO |
Molecular Weight: | 207.127 |
Synonyms: | 4-Tetrafluoro-o-toluamideand; |
Density: | 1.42 g/cm3 |
Melting Point: | 134 °C |
Boiling Point: | 214.1 °C at 760 mmHg |
Flash Point: | 83.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38-22 |
Safety: | 26-36/37/39 |
PSA: | 43.09000 |
LogP: | 2.64370 |
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The Benzamide, 4-fluoro-2-(trifluoromethyl)-, with the CAS registry number 207919-06-0, is also known as 4-Tetrafluoro-o-toluamideand. This chemical's molecular formula is C8H5F4NO and molecular weight is 207.13. What's more, both its IUPAC name and systematic name are the same which is called 4-fluoro-2-(trifluoromethyl)benzamide.
Physical properties about Benzamide, 4-fluoro-2-(trifluoromethyl)- are: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.98; (6)ACD/BCF (pH 7.4): 1.98; (7)ACD/KOC (pH 5.5): 56.72; (8)ACD/KOC (pH 7.4): 56.72; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 40.15 cm3; (15)Molar Volume: 145.8 cm3; (16) Polarizability: 15.91×10-24cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 83.3 °C; (20)Enthalpy of Vaporization: 45.04 kJ/mol; (21)Boiling Point: 214.1 °C at 760 mmHg; (22)Vapour Pressure: 0.159 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. As a chemical, it is irritating to eyes, respiratory system and skin. In addition, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, you should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(cc(F)cc1)C(F)(F)F)N
(2)InChI: InChI=1/C8H5F4NO/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H2,13,14)
(3)InChIKey: HRJKVZCCWLPFMF-UHFFFAOYAQ