4-(4-bromophenyl)-1H-pyrazole

Base Information

• Chemical Name: 4-(4-bromophenyl)-1H-pyrazole
• CAS No.: 849021-16-5
• Molecular Formula: C9H7 Br N2
• Molecular Weight: 223.072
• Hs Code.: 2933199090
• European Community (EC) Number: 673-373-6
• DSSTox Substance ID: DTXSID10426292
• Wikidata: Q82239238
• Mol file: 849021-16-5.mol

Synonyms:4-(4-bromophenyl)-1H-pyrazole;849021-16-5;4-(4-Bromophenyl)pyrazole;4-(1h-pyrazol-4-yl)bromobenzene;SCHEMBL481994;DTXSID10426292;GCAZXAMCMBEXCC-UHFFFAOYSA-N;4-(4-Bromo-phenyl)-1H-pyrazole;ZIB02116;MFCD06800354;AKOS015835687;AB29972;AT22621;FS-1422;CS-0148837;FT-0677421;EN300-155627;A840981;Z1269230061

Chemical Property of 4-(4-bromophenyl)-1H-pyrazole

Chemical Property:

• Vapor Pressure: 5.9E-06mmHg at 25°C
• Melting Point: 208-211°C
• Refractive Index: 1.635
• Boiling Point: 390.6°C at 760 mmHg
• PKA: 13.33±0.50(Predicted)
• Flash Point: 190°C
• PSA: 28.68000
• Density: 1.565g/cm³
• LogP: 2.83920
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 221.97926
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Bromophenyl)-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CNN=C2)Br

Technology Process of 4-(4-bromophenyl)-1H-pyrazole

There total 3 articles about 4-(4-bromophenyl)-1H-pyrazole 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:

2-(4-bromophenyl)malondialdehyde (709648-68-0) → 4-(4-bromophenyl)-1H-pyrazole (849021-16-5)

Guidance literature:

With hydrazine; at 20 ℃;

DOI:10.1016/j.bmcl.2013.12.014

Reference yield:

2-(4-bromophenyl)-acetic acid (1878-68-8) → 4-(4-bromophenyl)-1H-pyrazole (849021-16-5)

Guidance literature:

Multi-step reaction with 3 steps

1: trichlorophosphate; sodium perchlorate monohydrate / 5 - 95 °C

2: sodium hydroxide / water / 0.25 h / 90 °C

3: hydrazine / 20 °C

With sodium perchlorate monohydrate; sodium hydroxide; hydrazine; trichlorophosphate; In water;

DOI:10.1016/j.bmcl.2013.12.014

Reference yield:

N-(2-(4-bromophenyl)-3-(dimethylamino)allylidene)-N-methylmethanaminium perchlorate → 4-(4-bromophenyl)-1H-pyrazole (849021-16-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water / 0.25 h / 90 °C

2: hydrazine / 20 °C

With sodium hydroxide; hydrazine; In water;

DOI:10.1016/j.bmcl.2013.12.014

upstream raw materials:

2-(4-bromophenyl)-acetic acid

2-(4-bromophenyl)malondialdehyde

Downstream raw materials:

tert-butyl 4-(4-bromophenyl)pyrazole-1-carboxylate

4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrazole

1-(4-(4-bromophenyl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol

1-[2-(tetrahydropyran-2-yloxy)-ethyl]-4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-pyrazole