5-Amino-2-bromobenzonitrile

Base Information

• Chemical Name: 5-Amino-2-bromobenzonitrile
• CAS No.: 72115-09-4
• Molecular Formula: C7H5BrN2
• Molecular Weight: 197.034
• Hs Code.: 2926909090
• European Community (EC) Number: 867-822-7
• DSSTox Substance ID: DTXSID20355766
• Nikkaji Number: J2.710.374J
• Wikidata: Q72438427
• Mol file: 72115-09-4.mol

Synonyms:5-amino-2-bromobenzonitrile;72115-09-4;5-amino-2-bromo-benzonitrile;5-AMINO-2-BROMO BENZONITRILE;MFCD00234259;3-Cyano-4-bromoaniline;SCHEMBL114307;DTXSID20355766;CL8220;STL573302;AKOS006343713;CS-W005217;PS-3462;SB38447;SY104266;AM20050117;FT-0619974;EN300-102517;A837426;AC-907/25004613;J-516679;Z1201619917

Chemical Property of 5-Amino-2-bromobenzonitrile

Chemical Property:

• Vapor Pressure: 9.22E-05mmHg at 25°C
• Refractive Index: 1.652
• Boiling Point: 339.4 °C at 760 mmHg
• PKA: 2.08±0.10(Predicted)
• Flash Point: 159.1 °C
• PSA: 49.81000
• Density: 1.68g/cm³
• LogP: 2.48418
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 195.96361
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

98%, ^*data from raw suppliers

5-Amino-2-bromobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)C#N)Br

Technology Process of 5-Amino-2-bromobenzonitrile

There total 3 articles about 5-Amino-2-bromobenzonitrile 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:

m-cyanoaniline (2237-30-1) → 5-amino-2-bromo-benzonitrile (72115-09-4) + 3-amino-4-bromobenzonitrile (72635-78-0) + 3-amino-2-bromobenzonitrile (1166988-09-5)

Guidance literature:

With N-Bromosuccinimide; In 1,4-dioxane; at 20 ℃;

DOI:10.1055/s-0028-1088016

Reference yield:

m-cyanoaniline (2237-30-1) → 5-amino-2-bromo-benzonitrile (72115-09-4) + 3-amino-2-bromobenzonitrile (1166988-09-5)

Guidance literature:

With N-Bromosuccinimide; In dimethyl sulfoxide; at 20 ℃;

DOI:10.1055/s-0028-1088016

Reference yield:

→ 5-amino-2-bromo-benzonitrile (72115-09-4)

Guidance literature:

2-Nitro-5-brom-benzonitril, Sn, 25percentig. HCl;

DOI:10.1021/ja01497a043

upstream raw materials:

m-cyanoaniline

Downstream raw materials:

C₈H₇BrN₂O₂S

tert-butyl 2-(2-cyano-4-(1H-tetrazol-1-yl)phenyl)acetate

2-(2-cyano-4-(1H-tetrazol-1-yl)phenyl)acetic acid

2-(2-methylpropyl)-5-nitrobenzonitrile

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