2,5-Difluorophenylacetonitrile

Base Information

• Chemical Name: 2,5-Difluorophenylacetonitrile
• CAS No.: 69584-87-8
• Molecular Formula: C8H5F2N
• Molecular Weight: 153.131
• Hs Code.: 29269090
• European Community (EC) Number: 274-051-4
• UNII: T7BC2T9854
• DSSTox Substance ID: DTXSID40219851
• Nikkaji Number: J267.417C
• Wikidata: Q72462693
• Mol file: 69584-87-8.mol

Synonyms:2,5-Difluorophenylacetonitrile;69584-87-8;2-(2,5-difluorophenyl)acetonitrile;2,5-Difluorobenzyl Cyanide;(2,5-Difluorophenyl)acetonitrile;Benzeneacetonitrile, 2,5-difluoro-;2,5-Difluorobenzeneacetonitrile;(2,5-difluoro-phenyl)-acetonitrile;EINECS 274-051-4;MFCD00009972;2,5-Difluorophenylacetonitrile, 97%;SCHEMBL1020440;2,5-difluoro-phenylacetonitrile;AMY2950;DTXSID40219851;T7BC2T9854;CK1023;AKOS005064089;PS-8906;AC-24897;SY017787;2-[2,5-bis(fluoranyl)phenyl]ethanenitrile;D3442;FT-0610356;EN300-1697939;A836551;J-507343

Chemical Property of 2,5-Difluorophenylacetonitrile

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.159mmHg at 25°C
• Refractive Index: n20/D 1.4834(lit.)
• Boiling Point: 214 °C at 760 mmHg
• Flash Point: 102.8 °C
• PSA: 23.79000
• Density: 1.233 g/mL at 25 °C(lit.)
• LogP: 2.03088
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.03900549
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

99.9% ^*data from raw suppliers

2,5-Difluorobenzyl Cyanide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)CC#N)F
• Uses: 2,5-Difluorophenylacetonitrile may be used in chemical synthesis.

Technology Process of 2,5-Difluorophenylacetonitrile

There total 2 articles about 2,5-Difluorophenylacetonitrile 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:

→ 2,5-difluorophenylacetonitrile (69584-87-8) + 3-(2,5-difluorobenzyl)-8-(methylamino)-1,2,4-triazolo[4,3-a]pyrazine

Guidance literature:

Reference yield:

→ 2,5-difluorophenylacetonitrile (69584-87-8) + 8-amino-3-(2,5-difluorobenzyl)-1,2,4-triazolo[4,3-a]pyrazine

Guidance literature:

Reference yield: 98.0%

ethanol (64-17-5) + 2,5-difluorophenylacetonitrile (69584-87-8) → 2-(2,5-Difluoro-phenyl)-acetimidic acid ethyl ester; hydrochloride

Guidance literature:

With hydrogenchloride; at 0 ℃; for 48h;

DOI:10.1021/jm00018a029

Downstream raw materials:

2,5-Difluor-4'-dimethylamino-α-cyan-stilben

(3-Amino-4-nitro-phenyl)-(2,5-difluoro-phenyl)-methanone

1-isopropylsulfonyl-2-amino-6-(2,5-difluorobenzoyl)benzimidazole

1-[2-Amino-3-(propane-2-sulfonyl)-3H-benzoimidazol-5-yl]-1-(2,5-difluoro-phenyl)-but-3-yn-1-ol

Refernces