5-Bromo-2-cyanobenzeneacetonitrile

Base Information

• Chemical Name: 5-Bromo-2-cyanobenzeneacetonitrile
• CAS No.: 925672-88-4
• Molecular Formula: C9H5BrN2
• Molecular Weight: 221.056
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80581544
• Nikkaji Number: J2.417.709B
• Wikidata: Q82472721
• Mol file: 925672-88-4.mol

Synonyms:5-Bromo-2-cyanobenzeneacetonitrile;925672-88-4;4-bromo-2-(cyanomethyl)benzonitrile;MFCD09999213;Benzeneacetonitrile, 5-bromo-2-cyano-;SCHEMBL1519547;DTXSID80581544;ULEYEDQUDZWJBR-UHFFFAOYSA-N;AKOS015834803;CS-W019232;FS-2789;SY067338;A860047

Chemical Property of 5-Bromo-2-cyanobenzeneacetonitrile

Chemical Property:

• Vapor Pressure: 6.25E-05mmHg at 25°C
• Boiling Point: 345.2°C at 760 mmHg
• Flash Point: 162.6°C
• PSA: 47.58000
• Density: 1.58g/cm³
• LogP: 2.38686
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 219.96361
• Heavy Atom Count: 12
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-cyanobenzeneacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)CC#N)C#N

Technology Process of 5-Bromo-2-cyanobenzeneacetonitrile

There total 3 articles about 5-Bromo-2-cyanobenzeneacetonitrile 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: 93.0%

C11H7BrN2O2 (925672-87-3) → 4-bromo-2-(cyanomethyl)benzonitrile (925672-88-4)

Guidance literature:

With water; In dimethyl sulfoxide; at 115 ℃; for 1h;

DOI:10.1016/j.tetlet.2006.11.035

Reference yield: 91.0%

4-bromo-6-fluorobenzonitrile (105942-08-3) + methyl 2-cyanoacetate (105-34-0) → 4-bromo-2-(cyanomethyl)benzonitrile (925672-88-4)

Guidance literature:

methyl 2-cyanoacetate; With sodium hydride; In dimethyl sulfoxide; at 20 ℃; for 0.5h;

4-bromo-6-fluorobenzonitrile; In dimethyl sulfoxide; at 90 ℃; for 2h;

In water; dimethyl sulfoxide; for 8h; Further stages.; Heating;

DOI:10.1016/j.tetlet.2006.11.035

Reference yield:

4-bromo-6-fluorobenzonitrile (105942-08-3) → 4-bromo-2-(cyanomethyl)benzonitrile (925672-88-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / NaH / dimethylsulfoxide / 90 °C

2: 93 percent / H₂O / dimethylsulfoxide / 1 h / 115 °C

With water; sodium hydride; In dimethyl sulfoxide;

DOI:10.1016/j.tetlet.2006.11.035

upstream raw materials:

C₁₁H₇BrN₂O₂

4-bromo-6-fluorobenzonitrile

methyl 2-cyanoacetate

Downstream raw materials:

1,6-dibromoisoquinolin-3-amine

6-bromoisoquinoline-1,3(2H,4H)-dione

C₁₉H₁₇BrN₂O₂

C₁₇H₁₅BrN₂O

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 925672-88-4 5-BROMO-2-CYANOBENZENEACETONITRILE

Send

Send

Metric Ton KG G Pound L ML

Send

Send