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Benzamide,3-fluoro-5-(trifluoromethyl)-

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Name

Benzamide,3-fluoro-5-(trifluoromethyl)-

EINECS N/A
CAS No. 207986-20-7 Density 1.42 g/cm3
PSA 43.09000 LogP 2.64370
Solubility N/A Melting Point 115-117 °C
Formula C8H5F4NO Boiling Point 197.8 °C at 760 mmHg; 
Molecular Weight 207.127 Flash Point 73.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 207986-20-7 (3-FLUORO-5-(TRIFLUOROMETHYL)BENZAMIDE) Hazard Symbols IrritantXi
Synonyms

Alpha,alpha,alpha,5-Tetrafluoro-m-toluamide;

 

Benzamide,3-fluoro-5-(trifluoromethyl)- Specification

The Benzamide,3-fluoro-5-(trifluoromethyl)-, with the CAS registry number 207986-20-7, is also known as Alpha,alpha,alpha,5-Tetrafluoro-m-toluamide. 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 3-Fluoro-5-(trifluoromethyl)benzamide.

Physical properties about Benzamide,3-fluoro-5-(trifluoromethyl)- are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 13.9; (6)ACD/BCF (pH 7.4): 13.9; (7)ACD/KOC (pH 5.5): 228.94; (8)ACD/KOC (pH 7.4): 228.94; (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: 15.91×10-24 cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 73.4 °C; (20)Enthalpy of Vaporization: 43.4 kJ/mol; (21)Boiling Point: 197.8 °C at 760 mmHg; (22)Vapour Pressure: 0.372 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. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(F)c1)C(=O)N
(2)InChI: InChI=1/C8H5F4NO/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H2,13,14)
(3)InChIKey: BBUBHNZCRQRAQG-UHFFFAOYAF

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