1-(2-Fluorophenyl)cyclopropanecarbonitrile

Base Information

• Chemical Name: 1-(2-Fluorophenyl)cyclopropanecarbonitrile
• CAS No.: 97009-38-6
• Molecular Formula: C₁₀H₈FN
• Molecular Weight: 161.179
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID30601781
• Wikidata: Q82498600
• Mol file: 97009-38-6.mol

Synonyms:1-(2-Fluorophenyl)cyclopropanecarbonitrile;97009-38-6;1-(2-FLUOROPHENYL)CYCLOPROPANE-1-CARBONITRILE;1-(2-FLUORO-PHENYL)-CYCLOPROPANECARBONITRILE;C10H8FN;MFCD07374408;SCHEMBL1769351;DTXSID30601781;AKOS010815827;AB39388;DS-9614;SY209799;CS-0088305;EN300-255302;A858649;Z825741228

Chemical Property of 1-(2-Fluorophenyl)cyclopropanecarbonitrile

Chemical Property:

• Vapor Pressure: 0.00479mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 276.5°C at 760 mmHg
• Flash Point: 115.8°C
• PSA: 23.79000
• Density: 1.18g/cm³
• LogP: 2.38088
• 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: 161.064077422
• Heavy Atom Count: 12
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Fluorophenyl)cyclopropanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C#N)C2=CC=CC=C2F

Technology Process of 1-(2-Fluorophenyl)cyclopropanecarbonitrile

There total 2 articles about 1-(2-Fluorophenyl)cyclopropanecarbonitrile 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: 94.5%

→ 1-(2-fluorophenyl)cyclopropanecarbonitrile (97009-38-6)

Guidance literature:

With sodium hydride; In N,N-dimethyl acetamide; mineral oil; at -15 - -10 ℃; for 0.25h; Inert atmosphere;

In N,N-dimethyl acetamide; mineral oil; at -10 - 20 ℃; for 1h;

Reference yield:

2-fluorophenyl acetonitrile (326-62-5) + 1-Bromo-2-chloroethane (107-04-0) → 1-(2-fluorophenyl)cyclopropanecarbonitrile (97009-38-6)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In water; at 50 ℃; for 12h;

DOI:10.1021/jacs.9b04549

Reference yield:

1-(2-fluorophenyl)cyclopropanecarbonitrile (97009-38-6) → 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid (306298-00-0)

Guidance literature:

With lithium hydroxide; In water; ethylene glycol; at 100 ℃; for 24h;

DOI:10.1021/jacs.9b04549

upstream raw materials:

2-fluorophenyl acetonitrile

1-Bromo-2-chloroethane

Downstream raw materials:

1-(2-fluorophenyl)cyclopropane-1-carboxylic acid