2-(Cyano(4-fluorophenyl)methyl)benzonitrile

Base Information

• Chemical Name: 2-(Cyano(4-fluorophenyl)methyl)benzonitrile
• CAS No.: 116617-31-3
• Molecular Formula: C15H9FN2
• Molecular Weight: 236.248
• Hs Code.: 2926909090
• European Community (EC) Number: 671-561-2
• DSSTox Substance ID: DTXSID50378786
• Nikkaji Number: J331.610F
• Mol file: 116617-31-3.mol

Synonyms:116617-31-3;2-(Cyano(4-fluorophenyl)methyl)benzonitrile;2-[Cyano(4-fluorophenyl)methyl]benzenecarbonitrile;2-[cyano-(4-fluorophenyl)methyl]benzonitrile;2-[cyano(4-fluorophenyl)methyl]benzonitrile;2-(2-cyanophenyl)-2-(4-fluorophenyl)acetonitrile;2-(Cyano(4-fluorophenyl)methyl)benzenecarbonitrile;Benzeneacetonitrile,2-cyano-a-(4-fluorophenyl)-;SCHEMBL9576332;DTXSID50378786;BRHKEEJUFXPRIJ-UHFFFAOYSA-N;2-cyano-4'-fluorobenzhydrylcyanide;MFCD00231953;AKOS005070339;(2-Cyanophenyl)(4-fluorophenyl)acetonitrile;CS-0335189;FT-0642842;4H-019;2-[(R)-cyano-(4-fluorophenyl)methyl]benzonitrile;A803651;J-506335

Chemical Property of 2-(Cyano(4-fluorophenyl)methyl)benzonitrile

Chemical Property:

• Vapor Pressure: 1.84E-06mmHg at 25°C
• Melting Point: 87-89 °C
• Refractive Index: 1.595
• Boiling Point: 395.5 °C at 760 mmHg
• Flash Point: 193 °C
• PSA: 47.58000
• Density: 1.23 g/cm³
• LogP: 3.35286
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.07497646
• Heavy Atom Count: 18
• Complexity: 366

Purity/Quality:

97% ^*data from raw suppliers

2-[Cyano(4-fluorophenyl)methyl]benzenecarbonitrile ^*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(=C1)C#N)C(C#N)C2=CC=C(C=C2)F

Technology Process of 2-(Cyano(4-fluorophenyl)methyl)benzonitrile

There total 2 articles about 2-(Cyano(4-fluorophenyl)methyl)benzonitrile 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: 86.0%

2-Chlorobenzonitrile (873-32-5) + 4-fluorophenylacetonitrile (459-22-3) → (2-cyanophenyl)(4-fluorophenyl)acetonitrile (116617-31-3)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1021/jo00303a011

Reference yield:

→ (2-cyanophenyl)(4-fluorophenyl)acetonitrile (116617-31-3)

Guidance literature:

Reference yield: 91.0%

(2-cyanophenyl)(4-fluorophenyl)acetonitrile (116617-31-3) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 4-cyano-4-(2-cyanophenyl)-4-(4-fluorophenyl)butanoate (127999-69-3)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1021/jo00303a012

upstream raw materials:

2-Chlorobenzonitrile

4-fluorophenylacetonitrile

Downstream raw materials:

1-bromo-3-amino-4-(4-fluorophenyl)isoquinoline

1-amino-2-(methoxycarbonyl)-3-cyano-3-(4-fluorophenyl)-1-H-indene

methyl 4-cyano-4-(2-cyanophenyl)-4-(4-fluorophenyl)butanoate

3-(4-fluorophenyl)-2,3-dihydro-1H-indene-1-one

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 116617-31-3 2-[CYANO(4-FLUOROPHENYL)METHYL]BENZENECARBONITRILE

Send

Send

Metric Ton KG G Pound L ML

Send

Send