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2-Fluoro-3-(trifluoromethyl)benzamide

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Name

2-Fluoro-3-(trifluoromethyl)benzamide

EINECS N/A
CAS No. 207853-60-9 Density 1.42 g/cm3
PSA 43.09000 LogP 2.64370
Solubility N/A Melting Point 94-97 °C
Formula C8H5F4NO Boiling Point 210.9 °C at 760 mmHg
Molecular Weight 207.127 Flash Point 81.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 207853-60-9 (2-Fluoro-3-(trifluoromethyl)benzamide) Hazard Symbols IrritantXi
Synonyms

2-Fluoro-3-(trifluoromethyl)benzamide;

Article Data 1

2-Fluoro-3-(trifluoromethyl)benzamide Specification

The Benzamide,2-fluoro-3-(trifluoromethyl)-, with the CAS registry number 207853-60-9, is also known as α,α,α,2-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 2-Fluoro-3-(trifluoromethyl)benzamide.

Physical properties about Benzamide,2-fluoro-3-(trifluoromethyl)- are: (1) ACD/LogP: 1.72; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.72; (4) ACD/LogD (pH 7.4): 1.72; (5) ACD/BCF (pH 5.5): 11.92; (6) ACD/BCF (pH 7.4): 11.92; (7) ACD/KOC (pH 5.5): 205.13; (8) ACD/KOC (pH 7.4): 205.13; (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) Surface Tension: 31.6 dyne/cm; (17) Density: 1.42 g/cm3; (18) Flash Point: 81.4 °C; (19) Enthalpy of Vaporization: 44.72 kJ/mol; (20) Boiling Point: 210.9 °C at 760 mmHg; (21) Vapour Pressure: 0.188 mmHg at 25 °C; (22) Melting Point: 94-97 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should 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)c1cccc(C(=O)N)c1F
(2) InChI: InChI=1/C8H5F4NO/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H2,13,14)
(3) InChIKey: UHMUBYIIPNQHGD-UHFFFAOYAD

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