| Identification | |
| Name: | Benzenecarbothioamide,2-fluoro-4-(trifluoromethyl)- |
| Synonyms: | 2-Fluoro-4-trifluoromethylbenzothioamide; |
| CAS: | 317319-34-9 |
| Molecular Formula: | C8H5F4NS |
| Molecular Weight: | 223.19 |
| InChI: | InChI=1/C8H5F4NS/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H2,13,14) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.452 g/cm3 |
| Refractive index: | 1.529 |
| Specification: |
The 2-Fluoro-4-(trifluoromethyl)thiobenzamide, with CAS registry number 317319-34-9, belongs to the following product categorie: API intermediates. Its systematic name and its IUPAC name are the same, which is 2-fluoro-4-(trifluoromethyl)benzenecarbothioamide. Besides this, it is also called benzenecarbothioamide, 2-fluoro-4-(trifluoromethyl)-. Physical properties about this chemical are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 267; (8)ACD/KOC (pH 7.4): 267; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.11 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 47.417 cm3; (15)Molar Volume: 153.723 cm3; (16)Polarizability: 18.797×10-24cm3; (17)Surface Tension: 40.384 dyne/cm; (18)Enthalpy of Vaporization: 47.753 kJ/mol; (19)Vapour Pressure: 0.038 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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