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Name |
Benzamide, 2,5-bis(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 53130-46-4 | Density | 1.468g/cm3 |
PSA | 43.09000 | LogP | 3.52340 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H5F6NO | Boiling Point | 222.1 °C at 760 mmHg |
Molecular Weight | 257.13 | Flash Point | 88.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,5-Bis(trifluoromethyl)benzamide; |
Article Data | 1 |
The Benzamide, 2,5-bis(trifluoromethyl)- has the CAS registry number 53130-46-4. This chemical's molecular formula is C9H5F6NO and molecular weight is 257.13. What's more, its systematic name is 2,5-bis(trifluoromethyl)benzamide.
Physical properties of Benzamide, 2,5-bis(trifluoromethyl)- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 27.97; (6)ACD/BCF (pH 7.4): 27.97; (7)ACD/KOC (pH 5.5): 377.75; (8)ACD/KOC (pH 7.4): 377.75; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.09 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: 88.1 °C; (20)Enthalpy of Vaporization: 45.85 kJ/mol; (21)Boiling Point: 222.1 °C at 760 mmHg; (22)Vapour Pressure: 0.104 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1C(N)=O)C(F)(F)F
(2)InChI: InChI=1S/C9H5F6NO/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H2,16,17)
(3)InChIKey: OYXFWPXMRHRCTB-UHFFFAOYSA-N