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| CAS No.: | 207986-22-9 |
|---|---|
| Name: | 2,3,6-TRIFLUOROBENZAMIDE |
| Molecular Structure: | |
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| Formula: | C7H4F3NO |
| Molecular Weight: | 175.11 |
| Synonyms: | 2,3,6-Trifluorobenzamide; |
| Density: | 1.45 g/cm3 |
| Melting Point: | 115-118 °C |
| Boiling Point: | 152.1 °C at 760 mmHg |
| Flash Point: | 45.8 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 43.09000 |
| LogP: | 1.90310 |
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Specification
The Benzamide,2,3,6-trifluoro-, with the CAS registry number 207986-22-9, is also known as 2,3,6-Trifluorobenzamide 97 %. This chemical's molecular formula is C7H4F3NO and molecular weight is 175.11. What's more, both its systematic name and IUPAC name are the same which is called 2,3,6-Trifluorobenzamide. It should be preserved hermetically and put in a cool place.
Physical properties about Benzamide,2,3,6-trifluoro- are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 2.09; (6)ACD/BCF (pH 7.4): 2.09; (7)ACD/KOC (pH 5.5): 59.01; (8)ACD/KOC (pH 7.4): 59.01; (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: 1.494; (14)Molar Refractivity: 35.16 cm3; (15)Molar Volume: 120.7 cm3; (16)Surface Tension: 39.6 dyne/cm; (17)Density: 1.45 g/cm3; (18)Flash Point: 45.8 °C; (19)Enthalpy of Vaporization: 38.9 kJ/mol; (20)Boiling Point: 152.1 °C at 760 mmHg; (21)Vapour Pressure: 3.55 mmHg at 25 °C; (22)Melting point: 115-118 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(C(=O)N)c(F)ccc1F
(2) InChI: InChI=1/C7H4F3NO/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H2,11,12)
(3) InChIKey: BWWGEHSEZGXEKB-UHFFFAOYAE