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CAS No.: | 37566-39-5 |
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Name: | 2-AMINO-5-BROMO-[1,3,4]THIADIAZOLE |
Article Data: | 37 |
Molecular Structure: | |
Formula: | C2H2BrN3S |
Molecular Weight: | 180.028 |
Synonyms: | (5-Bromo-1,3,4-thiadiazol-2-yl)amine;2-Amino-5-bromo-1,3,4-thiadiazole;2-Bromo-5-amino-1,3,4-thiadiazole;5-Bromo-1,3,4-thiadiazol-2-amine;1,3,4-Thiadiazol-2-amine, 5-bromo-; |
EINECS: | 231-484-3 |
Density: | 2.147 g/cm3 |
Melting Point: | 168 °C |
Boiling Point: | 314.1 °C at 760 mmHg |
Flash Point: | 143.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22-36 |
Safety: | 22-36/37/39 |
PSA: | 80.04000 |
LogP: | 1.46400 |
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The 2-Amino-5-bromo-1,3,4-thiadiazole, with the CAS registry number 37566-39-5, has the systematic name of 5-bromo-1,3,4-thiadiazol-2-amine. The molecular formula of this chemical is C2H2BrN3S. It is a kind of irritant chemical, and should be stored in the dry and cool environment.
The physical properties of 2-Amino-5-bromo-1,3,4-thiadiazole are as following: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 3.47; (6)ACD/BCF (pH 7.4): 3.47; (7)ACD/KOC (pH 5.5): 84.72; (8)ACD/KOC (pH 7.4): 84.72; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 57.26 Å2; (13)Index of Refraction: 1.709; (14)Molar Refractivity: 32.74 cm3; (15)Molar Volume: 83.8 cm3; (16)Polarizability: 12.98×10-24cm3; (17)Surface Tension: 85.7 dyne/cm; (18)Density: 2.147 g/cm3; (19)Flash Point: 143.7 °C; (20)Enthalpy of Vaporization: 55.52 kJ/mol; (21)Boiling Point: 314.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000477 mmHg at 25°C.
Uses of 2-Amino-5-bromo-1,3,4-thiadiazole: It can react with acetic acid anhydride to produce N-(5-bromo-[1,3,4]thiadiazol-2-yl)-acetamide. This reaction will need heating, and the yield is about 77%.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1nnc(s1)N
(2)InChI: InChI=1/C2H2BrN3S/c3-1-5-6-2(4)7-1/h(H2,4,6)
(3)InChIKey: GLYQQFBHCFPEEU-UHFFFAOYAX