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1,3,4-Thiadiazole,2-bromo-5-(trifluoromethyl)-

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Name

1,3,4-Thiadiazole,2-bromo-5-(trifluoromethyl)-

EINECS N/A
CAS No. 37461-61-3 Density 2.025 g/cm3
PSA 54.02000 LogP 2.31940
Solubility N/A Melting Point N/A
Formula C3BrF3N2S Boiling Point 174.8 °C at 760 mmHg
Molecular Weight 233.012 Flash Point 59.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 37461-61-3 (2-bromo-5-(trifluoromethyl)-1,3,4-thiadiazole) Hazard Symbols N/A
Synonyms

2-Bromo-5-(trifluoromethyl)-1,3,4-thiadiazole;

Article Data 13

1,3,4-Thiadiazole,2-bromo-5-(trifluoromethyl)- 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

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