3-Bromo-1H-pyrazolo[3,4-b]pyrazine supplier

Name
3-Bromo-1H-pyrazolo[3,4-b]pyrazine
EINECS
CAS No. 81411-68-9
Article Data2
CAS DataBase
Density 2.036 g/cm³
Solubility
Melting Point
Formula C₅H₃BrN₄
Boiling Point 378.9 °C at 760 mmHg
Molecular Weight 199.01
Flash Point 183 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-pyrazolo[3, 4-b]pyrazine, 3-bromo-;
PSA 54.46000
LogP 1.11540

3-Bromo-1H-pyrazolo[3,4-b]pyrazine Specification

The 3-Bromo-1H-pyrazolo[3, 4-b]pyrazine, with the CAS registry number 81411-68-9, is also known as 1H-pyrazolo[3, 4-b]pyrazine, 3-bromo-. This chemical's molecular formula is C₅H₃BrN₄ and molecular weight is 199.0081. What's more, its systematic name is 3-Bromo-1H-pyrazolo[3, 4-b]pyrazine.

Physical properties about 3-Bromo-1H-pyrazolo[3, 4-b]pyrazine are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5.72; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 54.46 Å²; (11)Index of Refraction: 1.767; (12)Molar Refractivity: 40.49 cm³; (13)Molar Volume: 97.7 cm³; (14)Polarizability: 16.05×10^-24 cm³; (15)Surface Tension: 93.2 dyne/cm; (16)Density: 2.036 g/cm³; (17)Flash Point: 183 °C; (18)Enthalpy of Vaporization: 60.23 kJ/mol; (19)Boiling Point: 378.9 °C at 760 mmHg; (20)Vapour Pressure: 1.32E-05 mmHg at 25 °C.

Preparation of 3-Bromo-1H-pyrazolo[3, 4-b]pyrazine: this chemical is prepared by 3-Diazopyrazolo(3, 4-b)pyrazine by heating. The reaction needs reagent HBr. The reaction time is 30 minutes. The yield is about 84 %.

The 3-Bromo-1H-pyrazolo[3, 4-b]pyrazine can be obtained by 3-Diazopyrazolo(3,4-b)pyrazine.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cnc2c(n1)c(n[nH]2)Br
(2) InChI: InChI=1/C5H3BrN4/c6-4-3-5(10-9-4)8-2-1-7-3/h1-2H,(H,8,9,10)
(3) InChIKey: TVXWHRBXOWQEJD-UHFFFAOYAA

Product Name

3-Bromo-1H-pyrazolo[3,4-b]pyrazine

3-Bromo-1H-pyrazolo[3,4-b]pyrazine Specification

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