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| CAS No.: | 82019-50-9 |
|---|---|
| Name: | 2,4,6-TRIFLUOROBENZAMIDE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H4F3NO |
| Molecular Weight: | 175.11 |
| Synonyms: | 2,4,6-Trifluorobenzamide; |
| Density: | 1.45 g/cm3 |
| Boiling Point: | 149.4 °C at 760 mmHg |
| Flash Point: | 44.1 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 43.09000 |
| LogP: | 1.90310 |
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Specification
The Benzamide,2,4,6-trifluoro-, with the CAS registry number 82019-50-9, is also known as 4,4,4-Trifluorobutylamine. This chemical's molecular formula is C7H4F3NO and molecular weight is 175.11. What's more, both its IUPAC name and systematic name are the same which is called 2,4,6-Trifluorobenzamide. When you are dealing with this chemical, you should be very careful. This chemical that may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzamide,2,4,6-trifluoro- are: (1) ACD/LogP: 0.82; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.82; (4) ACD/LogD (pH 7.4): 0.82; (5) ACD/BCF (pH 5.5): 2.48; (6) ACD/BCF (pH 7.4): 2.48; (7) ACD/KOC (pH 5.5): 66.67; (8) ACD/KOC (pH 7.4): 66.67; (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: 1.494; (14) Molar Refractivity: 35.16 cm3; (15) Molar Volume: 120.7 cm3; (16) Surface Tension: 39.6 dyne/cm; (17) Density: 1.45 g/cm3; (18) Flash Point: 44.1 °C; (19) Enthalpy of Vaporization: 38.63 kJ/mol; (20) Boiling Point: 149.4 °C at 760 mmHg; (21) Vapour Pressure: 4.04 mmHg at 25 °C.
Uses of Benzamide,2,4,6-trifluoro-: it is used to produce other chemicals. For example, it is used to produce 2,4,6-Trifluorobenzonitrile;
The reaction occurs with reagent P2O5 and at temperature of 200-250 °C for 1.25 hours. The yield is 55 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1c(F)cc(F)cc1F)N
(2) InChI: InChI=1/C7H4F3NO/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H2,11,12)
(3) InChIKey: HZPJPMSPYIODNA-UHFFFAOYAH