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| CAS No.: | 67515-57-5 |
|---|---|
| Name: | 4-FLUORO-3-(TRIFLUOROMETHYL)BENZAMIDE |
| Molecular Structure: | |
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| Formula: | C8H5F4NO |
| Molecular Weight: | 207.125013 |
| Synonyms: | 2-Fluoro-5-carbamoylbenzotrifluoride;4-Fluoro-3-(trifluoromethyl)benzamide; |
| Density: | 1.42 g/cm3 |
| Melting Point: | 84 °C |
| Boiling Point: | 222.2 °C at 760 mmHg |
| Flash Point: | 88.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 43.09000 |
| LogP: | 2.64370 |
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- Total:20 Page 1 of 1 1
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Specification
The Benzamide,4-fluoro-3-(trifluoromethyl)-, with the CAS registry number 67515-57-5, is also known as 4-Fluoro-3-(trifluoromethyl)benzamide. This chemical's molecular formula is C8H5F4NO and molecular weight is 207.13. Its IUPAC name is called 4-fluoro-3-(trifluoromethyl)benzamide. This chemical should be stored in dry and cool place.
Physical properties of Benzamide,4-fluoro-3-(trifluoromethyl)-: (1)ACD/LogP: 1.99; (2)ACD/LogD (pH 5.5): 1.99; (3)ACD/LogD (pH 7.4): 1.99; (4)ACD/BCF (pH 5.5): 19.12; (5)ACD/BCF (pH 7.4): 19.12; (6)ACD/KOC (pH 5.5): 287.68; (7)ACD/KOC (pH 7.4): 287.68; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 40.15 cm3; (13)Molar Volume: 145.8 cm3; (14)Surface Tension: 31.6 dyne/cm; (15)Density: 1.42 g/cm3; (16)Flash Point: 88.2 °C; (17)Enthalpy of Vaporization: 45.86 kJ/mol; (18)Boiling Point: 222.2 °C at 760 mmHg; (19)Vapour Pressure: 0.103 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(=O)N)C(F)(F)F)F
(2)InChI: InChI=1S/C8H5F4NO/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H2,13,14)
(3)InChIKey: UUOVPAFAXSKGMP-UHFFFAOYSA-N