Benzamide, 2,5-bis(trifluoromethyl)- supplier

Name
2,5-BIS(TRIFLUOROMETHYL)BENZAMIDE
EINECS
CAS No. 53130-46-4
Article Data1
CAS DataBase
Density 1.468g/cm³
Solubility
Melting Point
Formula C₉H₅F₆NO
Boiling Point 222.1 °C at 760 mmHg
Molecular Weight 257.13
Flash Point 88.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Bis(trifluoromethyl)benzamide;
PSA 43.09000
LogP 3.52340

Benzamide, 2,5-bis(trifluoromethyl)- Specification

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

Product Name

2,5-BIS(TRIFLUOROMETHYL)BENZAMIDE

Benzamide, 2,5-bis(trifluoromethyl)- Specification

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