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| CAS No.: | 37461-61-3 |
|---|---|
| Name: | 2-bromo-5-(trifluoromethyl)-1,3,4-thiadiazole |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C3BrF3N2S |
| Molecular Weight: | 233.012 |
| Synonyms: | 2-Bromo-5-(trifluoromethyl)-1,3,4-thiadiazole; |
| Density: | 2.025 g/cm3 |
| Boiling Point: | 174.8 °C at 760 mmHg |
| Flash Point: | 59.5 °C |
| PSA: | 54.02000 |
| LogP: | 2.31940 |
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Specification
The 1,3,4-Thiadiazole,2-bromo-5-(trifluoromethyl)- is an organic compound with the formula C3BrF3N2S. The IUPAC name of this chemical is 2-bromo-5-(trifluoromethyl)-1,3,4-thiadiazole. With the CAS registry number 37461-61-3, it is also named as 5-bromo-2-(trifluoromethyl)-1,3,4-thiadiazole.
Physical properties about 1,3,4-Thiadiazole,2-bromo-5-(trifluoromethyl)- are: (1)ACD/LogP: 2.54; (2)ACD/LogD (pH 5.5): 2.54; (3)ACD/LogD (pH 7.4): 2.54; (4)#H bond acceptors: 2 ; (5)Polar Surface Area: 54.02 Å2; (6)Index of Refraction: 1.493; (7)Molar Refractivity: 33.48 cm3; (8)Molar Volume: 115 cm3; (9)Polarizability: 13.27×10-24cm3; (10)Surface Tension: 38.4 dyne/cm; (11)Density: 2.025 g/cm3; (12)Flash Point: 59.5 °C; (13)Enthalpy of Vaporization: 39.43 kJ/mol; (14)Boiling Point: 174.8 °C at 760 mmHg; (15)Vapour Pressure: 1.59 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1(nnc(s1)Br)C(F)(F)F
(2)InChI: InChI=1/C3BrF3N2S/c4-2-9-8-1(10-2)3(5,6)7
(3)InChIKey: LGTVLLPQCMJOGT-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C3BrF3N2S/c4-2-9-8-1(10-2)3(5,6)7
(5)Std. InChIKey: LGTVLLPQCMJOGT-UHFFFAOYSA-N