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| CAS No.: | 53130-45-3 |
|---|---|
| Name: | 2,4-BIS(TRIFLUOROMETHYL)BENZAMIDE |
| Molecular Structure: | |
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| Formula: | C9H5F6NO |
| Molecular Weight: | 257.135 |
| Synonyms: | 2,4-Bis(trifluoromethyl)benzamide;2,4-Di(trifluoromethyl)benzamide; |
| Density: | 1.468 g/cm3 |
| Melting Point: | 76 °C |
| Boiling Point: | 207.4 °C at 760 mmHg |
| Flash Point: | 79.2 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 43.09000 |
| LogP: | 3.52340 |
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Specification
The Benzamide,2,4-bis(trifluoromethyl)-, with the CAS registry number 53130-45-3, is also known as 2,4-Di(trifluoromethyl)benzamide. This chemical's molecular formula is C9H5F6NO and molecular weight is 257.13. What's more, both its IUPAC name and systematic name are the same which is called 2,4-Bis(trifluoromethyl)benzamide.
Physical properties about Benzamide,2,4-bis(trifluoromethyl)- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.3; (6)ACD/BCF (pH 7.4): 17.3; (7)ACD/KOC (pH 5.5): 267.83; (8)ACD/KOC (pH 7.4): 267.83; (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: 1.428; (14)Molar Refractivity: 45.14 cm3; (15)Molar Volume: 175.1 cm3; (16)Polarizability: 17.89×10-24cm3; (17)Surface Tension: 26.1 dyne/cm; (18)Density: 1.468 g/cm3; (19)Flash Point: 79.2 °C; (20)Enthalpy of Vaporization: 44.37 kJ/mol; (21)Boiling Point: 207.4 °C at 760 mmHg; (22)Vapour Pressure: 0.226 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1C(=O)N)C(F)(F)F
(2)InChI: InChI=1/C9H5F6NO/c10-8(11,12)4-1-2-5(7(16)17)6(3-4)9(13,14)15/h1-3H,(H2,16,17)
(3)InChIKey: UFXIIQGMMJQZPG-UHFFFAOYAW