o-Chlorobenzylmalononitrile

Base Information

Chemical Name:o-Chlorobenzylmalononitrile
CAS No.:40915-55-7
Molecular Formula:C10H7ClN2
Molecular Weight:190.629
Hs Code.:2926909090
DSSTox Substance ID:DTXSID4075324
Nikkaji Number:J61.663J
Wikidata:Q82003303
Mol file:40915-55-7.mol

Synonyms:o-Chlorobenzylmalononitrile;40915-55-7;o-Chlorobenzylomalonylonitryl [Polish];2-[(2-chlorophenyl)methyl]propanedinitrile;o-Chlorobenzylomalonylonitryl;MALONONITRILE, o-CHLOROBENZYL-;Nitrylu o-chlorobenzylomalonowego;2-CHLOROBENZYLMALONONITRILE;Nitrylu o-chlorobenzylomalonowego [Polish];Propanedinitrile, ((2-chlorophenyl)methyl)-;Propanedinitrile, [(2-chlorophenyl)methyl]-;2-chlorobenzyl malononitrile;Malonodinitrile, 2-chlorobenzyl;SCHEMBL1797853;DTXSID4075324;YETVIAIVJSRDFR-UHFFFAOYSA-N;2-(2-Chlorobenzyl)malononitrile #;MKR101920;AKOS006279864;Propanedinitrile, 2-(2-chlorobenzyl)-;LS-88873;Propanedinitrile, 2-(2-chlorophenylmethyl)-

Suppliers and Price of o-Chlorobenzylmalononitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-(2-CHLOROBENZYL)MALONONITRILE 95.00%
5MG
$ 505.48

Total 1 raw suppliers

Chemical Property of o-Chlorobenzylmalononitrile

Chemical Property:

Vapor Pressure:1.12E-05mmHg at 25°C
Boiling Point:370.3°Cat760mmHg
Flash Point:171.5°C
PSA：47.58000
Density:1.234g/cm³
LogP:2.54586
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:190.0297759
Heavy Atom Count:13
Complexity:241

Purity/Quality:

97% ^*data from raw suppliers

2-(2-CHLOROBENZYL)MALONONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CC(C#N)C#N)Cl

Technology Process of o-Chlorobenzylmalononitrile

There total 4 articles about o-Chlorobenzylmalononitrile 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: 83.0%

: 2698-41-1
o-chlorobenzylidene malononitrile

: 40915-55-7
2-(2-chlorobenzyl) malononitrile

Guidance literature:: With sodium tetrahydroborate; zinc(II) oxide; at 25 ℃; for 0.0833333h; neat (no solvent);
DOI:10.1002/hlca.200890072

Reference yield: 78.0%

: 89-98-5
2-chloro-benzaldehyde

: 109-77-3
malononitrile

: 40915-55-7
2-(2-chlorobenzyl) malononitrile

Guidance literature:: With formic acid; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; triethylamine; In dichloromethane; at 40 ℃; for 2.5h; Inert atmosphere;
DOI:10.1080/00397911.2010.481741

Reference yield:

: 89-98-5
2-chloro-benzaldehyde

: 40915-55-7
2-(2-chlorobenzyl) malononitrile

Guidance literature:: Multi-step reaction with 2 steps

1: piperidine / ethanol / 12 h / 80 °C / Inert atmosphere

2: sodium tetrahydroborate; methanol / 0.33 h / -10 °C / Inert atmosphere

With piperidine; methanol; sodium tetrahydroborate; In ethanol;
DOI:10.1021/acs.orglett.9b00569