2-Iodophenylacetonitrile

Base Information

• Chemical Name: 2-Iodophenylacetonitrile
• CAS No.: 40400-15-5
• Molecular Formula: C8H6 I N
• Molecular Weight: 243.047
• Hs Code.: 2926909090
• European Community (EC) Number: 627-729-2
• DSSTox Substance ID: DTXSID40402882
• Nikkaji Number: J31.184G
• Wikidata: Q72484324
• Mol file: 40400-15-5.mol

Synonyms:2-Iodophenylacetonitrile;40400-15-5;2-(2-iodophenyl)acetonitrile;2-Iodobenzyl cyanide;Benzeneacetonitrile, 2-iodo-;MFCD00040888;o-IODOPHENYLACETONITRILE;o-Iodobenzyl cyanide;2-iodo-phenylacetonitrile;(2-iodo-phenyl)-acetonitrile;SCHEMBL533864;2-Iodophenylacetonitrile, 97%;DTXSID40402882;CK2046;AKOS007930487;AM83168;AS-18805;SY101179;CS-0041514;FT-0612686;EN300-202451;A825092;1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepinehydrochloride

Chemical Property of 2-Iodophenylacetonitrile

Chemical Property:

• Vapor Pressure: 0.000795mmHg at 25°C
• Refractive Index: n20/D 1.618(lit.)
• Boiling Point: 113-120 °C0.5 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 23.79000
• Density: 1.75 g/mL at 25 °C(lit.)
• LogP: 2.35728
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 242.95450
• Heavy Atom Count: 10
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

2-IodobenzylCyanide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC#N)I
• Uses: 2-Iodophenylacetonitrile may be used in the preparation of:2?-aminobiphen-2-ylacetonitrileethyl (2-iodophenyl)iminoacetate hydrochloride3,4-disubstituted 2-naphthalenaminesIt may also be used in the preparation of the following nitriles:2-(2-iodophenyl)-2-methylpropanenitrile1-(2-iodophenyl)cyclopentanecarbonitrile5-bromo-2-(2-iodophenyl)pentanenitrile2-(2-iodophenyl)-2-propylpentanenitrile 1-(2-iodophenyl)cyclohexanecarbonitrile1-(2-Iodophenyl)cyclopropanecarbonitrile

Technology Process of 2-Iodophenylacetonitrile

There total 15 articles about 2-Iodophenylacetonitrile 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: 94.2%

2-Iodobenzyl bromide (40400-13-3) + sodium cyanide (143-33-9,25596-52-5) → 2-(2-iodophenyl)acetonitrile (40400-15-5)

Guidance literature:

In ethanol; for 4h; Heating;

DOI:10.3987/COM-05-10554

Reference yield: 93.0%

potassium cyanide (151-50-8) + 2-(chloromethyl)iodobenzene (59473-45-9) → 2-(2-iodophenyl)acetonitrile (40400-15-5)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In dimethyl sulfoxide; at 60 ℃; for 4h;

DOI:10.1016/0040-4020(96)00633-3

Reference yield: 88.0%

sodium cyanide (143-33-9,25596-52-5) + 2-(chloromethyl)iodobenzene (59473-45-9) → 2-(2-iodophenyl)acetonitrile (40400-15-5)

Guidance literature:

tetrabutylammomium bromide; In dichloromethane; water; for 10h; Heating;

DOI:10.1021/jo00372a042

upstream raw materials:

2-Iodobenzyl bromide

potassium cyanide

sodium cyanide

2-(chloromethyl)iodobenzene

Downstream raw materials:

o-iodophenylacetic acid

6-(2-Iodo-phenyl)-2-methyl-pyrido[2,3-d]pyrimidin-7-ylamine

2-(2-hydroxymethylphenylthio)phenylacetonitrile

methyl 3-amino-4-(2-iodophenyl)-2-butenoate