3-Amino-4-bromopyrazole

Base Information

• Chemical Name: 3-Amino-4-bromopyrazole
• CAS No.: 16461-94-2
• Molecular Formula: C3H4BrN3
• Molecular Weight: 161.989
• Hs Code.: 29331990
• European Community (EC) Number: 670-769-0
• DSSTox Substance ID: DTXSID40167782
• Nikkaji Number: J1.798.129C,J2.447.159D
• Wikidata: Q72438890
• Mol file: 16461-94-2.mol

Synonyms:3-Amino-4-bromopyrazole;16461-94-2;4-bromo-1H-pyrazol-5-amine;4-bromo-1H-pyrazol-3-amine;3-Amino-4-Bromo-1H-Pyrazole;1H-Pyrazol-3-amine, 4-bromo-;5-Amino-4-bromo-1H-pyrazole;4-bromo-1H-pyrazol-3-ylamine;3950-13-8;MFCD00082728;3-AMINO-4-BROMO PYRAZOLE;4-BROMO-1H-PYRAZOLE-3-YLAMINE;3-amino-4-bromo-pyrazole;SCHEMBL1036977;DTXSID40167782;STR05399;BBL010207;CS1041;STK346799;4-BROMO-3-AMINO-1H-PYRAZOLE;AKOS000308188;AKOS015922662;CS-W007681;FS-1087;HY-W007681;PB32103;AC-25258;SY007923;TS-02154;A3656;AM20080463;FT-0614967;EN300-171998;W-205937;F8884-7024

Chemical Property of 3-Amino-4-bromopyrazole

Chemical Property:

• Appearance/Colour: Grey crystalline solid
• Vapor Pressure: 5.69E-05mmHg at 25°C
• Melting Point: 133-135 °C
• Refractive Index: 1.699
• Boiling Point: 346.6 °C at 760 mmHg
• PKA: 13.99±0.50(Predicted)
• Flash Point: 163.4 °C
• PSA: 54.70000
• Density: 2.039 g/cm³
• LogP: 1.33560
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: DMSO, Water
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.95886
• Heavy Atom Count: 7
• Complexity: 67.2

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-4-bromopyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNC(=C1Br)N
• Uses: 3-Amino-4-bromopyrazole is a compound useful in organic synthesis.

Technology Process of 3-Amino-4-bromopyrazole

There total 4 articles about 3-Amino-4-bromopyrazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

3-aminopyrazole (1820-80-0,916420-28-5) → 3-amino-4-bromo-1H-pyrazole (16461-94-2)

Guidance literature:

3-aminopyrazole; With bromine; In acetic acid; at 0 - 5 ℃; for 2h;

With sodium hydrogencarbonate; In water; pH=~ 7.5;

Reference yield:

3(5)-aminopyrazole (1225387-53-0) → 5-amino-4-bromo-1H-pyrazole (16461-94-2)

Guidance literature:

With bromine; In acetic acid; for 1h;

Reference yield:

C5H7BrN2 → 5-amino-4-bromo-1H-pyrazole (16461-94-2)

Guidance literature:

With hydrazine; In ethanol; Heating;

DOI:10.1016/j.tetlet.2007.11.054

upstream raw materials:

3⁽⁵⁾-aminopyrazole

3-aminopyrazole

Downstream raw materials:

3-bromopyrazolo[1,5-a]pyrimidine

3-bromo-6-chloropyrazolo[1,5-a]pyrimidine

C₂₇H₂₈BrN₃O₃

C₃₁H₃₃N₅O₃

Refernces

• 1、 -. "NOVEL HETEROBICYCLIC COMPOUNDS". Page/Page column 43. . Retrieved 2010/11/29.