ACETYLMALONONITRILE

Base Information

Chemical Name:ACETYLMALONONITRILE
CAS No.:1187-11-7
Molecular Formula:C5H4N2O
Molecular Weight:108.09800
Hs Code.:2926909090
European Community (EC) Number:624-773-4
DSSTox Substance ID:DTXSID30392662
Nikkaji Number:J1.275.202D
Wikidata:Q82191027
Mol file:1187-11-7.mol

Synonyms:acetylmalonodinitrile;Acetylmalonsaeure-dinitril (2-Cyan-3-hydroxy-but-2-ensaeure-nitril);Acetyl-malodinitril;Acetylmalononitrile;Propanedinitrile,acetyl;Aceto-malondinitril;Acetyl-malononitril;

Suppliers and Price of ACETYLMALONONITRILE

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

AK Scientific
Acetylmalononitrile
1g
$ 98.00

American Custom Chemicals Corporation
ACETYLMALONONITRILE 95.00%
5G
$ 883.73

Sigma-Aldrich
Acetylmalononitrile 98%
5g
$ 111.00

TRC
Acetylmalononitrile
500mg
$ 155.00

TRC
Acetylmalononitrile
50mg
$ 45.00

Total 16 raw suppliers

Chemical Property of ACETYLMALONONITRILE

Chemical Property:

Vapor Pressure:3.45mmHg at 25°C
Melting Point:138-141oC(lit.)
Boiling Point:152.7oC at 760 mmHg
Flash Point:46.2oC
PSA：64.65000
Density:1.133g/cm3
LogP:0.23876
XLogP3:-0.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:108.032362755
Heavy Atom Count:8
Complexity:173

Purity/Quality:

98%,99%, ^*data from raw suppliers

Acetylmalononitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38
Safety Statements: 26-37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C(C#N)C#N

Technology Process of ACETYLMALONONITRILE

There total 3 articles about ACETYLMALONONITRILE 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: 70.0%

: 75-36-5
acetyl chloride

: 109-77-3
malononitrile

: 1187-11-7
acetylmalonodinitrile

Guidance literature:: malononitrile; With sodium hydride; In tetrahydrofuran; at -10 - 0 ℃; for 2h;

acetyl chloride; In tetrahydrofuran; at -5 - 0 ℃; for 8h;
DOI:10.1021/acs.jmedchem.1c01583