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| CAS No.: | 144851-59-2 |
|---|---|
| Name: | 2-FLUORO-6-(TRIFLUOROMETHYL)BENZAMIDE |
| Molecular Structure: | |
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| Formula: | C8H5F4NO |
| Molecular Weight: | 207.13 |
| Synonyms: | 2-FLUORO-6-(TRIFLUOROMETHYL)BENZAMIDE;2-Fluoro-6-(trifluoromethyl)benzamide 97%;2-Fluoro-6-(trifluoromethyl)benzamide97%;-Fluoro-6-(trifluoromethyl)benzamide 97% |
| Density: | 1.42 g/cm3 |
| Melting Point: | 144-147 °C(lit.) |
| Boiling Point: | 203.049 °C at 760 mmHg |
| Flash Point: | 76.602 °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:22 Page 1 of 1 1
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Specification
This chemical is called Benzamide, 2-fluoro-6-(trifluoromethyl)-, and its systematic name is 2-fluoro-6-(trifluoromethyl)benzamide. With the molecular formula of C8H5F4NO, its molecular weight is 207.13. The CAS registry number of this chemical is 144851-59-2.
Other characteristics of the Benzamide, 2-fluoro-6-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.525; (4)ACD/LogD (pH 7.4): 0.525; (5)ACD/BCF (pH 5.5): 1.475; (6)ACD/BCF (pH 7.4): 1.475; (7)ACD/KOC (pH 5.5): 45.977; (8)ACD/KOC (pH 7.4): 45.977; (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: 1.463; (14)Molar Refractivity: 40.157 cm3; (15)Molar Volume: 145.855 cm3; (16)Polarizability: 15.919×10-24cm3; (17)Surface Tension: 31.682 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 76.602 °C; (20)Enthalpy of Vaporization: 43.927 kJ/mol; (21)Boiling Point: 203.049 °C at 760 mmHg; (22)Vapour Pressure: 0.283 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(c(c(c1)F)C(=O)N)C(F)(F)F
2.InChI: InChI=1/C8H5F4NO/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14/h1-3H,(H2,13,14)
3.InChIKey: BYQGJCJJFXIYHC-UHFFFAOYAA