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| CAS No.: | 86093-76-7 | ||||
|---|---|---|---|---|---|
| Name: | 2-(TRIFLUOROMETHYL)THIOPHENE | ||||
| Article Data: | 2 | ||||
| Molecular Structure: | |||||
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| Formula: | C5H3F3S | ||||
| Molecular Weight: | 152.14 | ||||
| Synonyms: | 2-(Perfluoromethyl)thiophene;2-(Trifluoromethyl)thiophene;2-(Trifluoromethyl)thiophene 95%; | ||||
| Density: | 1.353g/cm3 | ||||
| Boiling Point: | 107.9 °C at 760 mmHg | ||||
| Flash Point: | 19.1 °C | ||||
| Hazard Symbols: |
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| Safety: |
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| PSA: | 28.24000 | ||||
| LogP: | 2.76690 | ||||
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- Total:36 Page 1 of 1 1
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Specification
The 2-(Trifluoromethyl)thiophene with cas registry number of 86093-76-7, belongs to the following product categories: (1)Thiophenes & Benzothiophenes; (2)Thiophenes & Benzothiophenes. Its systematic name is 2-(trifluoromethyl)thiophene. Its IUPAC name is 2-(trifluoromethyl)thiophene.
Physical properties about this chemical are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.23; (6)ACD/BCF (pH 7.4): 44.23; (7)ACD/KOC (pH 5.5): 524.33; (8)ACD/KOC (pH 7.4): 524.33; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.24 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 29.61 cm3; (15)Molar Volume: 112.4 cm3; (16)Polarizability: 11.74×10-24cm3; (17)Surface Tension: 23.5 dyne/cm; (18)Enthalpy of Vaporization: 33.24 kJ/mol; (19)Vapour Pressure: 31 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:FC(F)(F)c1sccc1;
(2)InChI:InChI=1/C5H3F3S/c6-5(7,8)4-2-1-3-9-4/h1-3H;
(3)InChIKey:FKGYFHXXFBKLNH-UHFFFAOYAT;
(4)Std. InChI:InChI=1S/C5H3F3S/c6-5(7,8)4-2-1-3-9-4/h1-3H;
(5)Std. InChIKey:FKGYFHXXFBKLNH-UHFFFAOYSA-N