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5-Bromo-1,2,3-triazine

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Name

5-Bromo-1,2,3-triazine

EINECS N/A
CAS No. 114078-88-5 Density 1.876 g/cm3
PSA 38.67000 LogP 0.63410
Solubility N/A Melting Point 112 °C (decomp)(Solv: ethyl acetate (141-78-6))
Formula C3H2BrN3 Boiling Point 242.531 °C at 760 mmHg
Molecular Weight 159.973 Flash Point 100.48 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 114078-88-5 (5-BroMo-1,2,3-triazine) Hazard Symbols N/A
Synonyms

1,2,3-triazine, 5-bromo-; 5-Bromo-1,2,3-triazine

Article Data 9

5-Bromo-1,2,3-triazine Specification

The 5-Bromo-1,2,3-triazine, with the CAS registry number 114078-88-5, is also known as 1,2,3-Triazine, 5-bromo-. This chemical's molecular formula is C3H2BrN3 and molecular weight is 159.97. What's more, its systematic name is 5-Bromo-1,2,3-triazine.

Physical properties of 5-Bromo-1,2,3-triazine are: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 25.04; (8)ACD/KOC (pH 7.4): 25.04; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.67 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 28.217 cm3; (15)Molar Volume: 85.29 cm3; (16)Polarizability: 11.186×10-24cm3; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.876 g/cm3; (19)Flash Point: 100.48 °C; (20)Enthalpy of Vaporization: 46.009 kJ/mol; (21)Boiling Point: 242.531 °C at 760 mmHg; (22)Vapour Pressure: 0.05 mmHg at 25°C.

Uses of 5-Bromo-1,2,3-triazine: it can be used to produce 4-bromo-pyrazol-1-ylamine at the temperature of 5 °C. It will need reagent aq. NaIO4 and solvent CHCl3 with the reaction time of 16 hours. The yield is about 89%.

 5-Bromo-1,2,3-triazine can be used to produce 4-bromo-pyrazol-1-ylamine at the temperature of 5 °C

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnnn1)Br
(2)Std. InChI: InChI=1S/C3H2BrN3/c4-3-1-5-7-6-2-3/h1-2H
(3)Std. InChIKey: LSBKXRBABHPHBW-UHFFFAOYSA-N

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