Cyanomethyl acetate

Base Information

• Chemical Name: Cyanomethyl acetate
• CAS No.: 1001-55-4
• Molecular Formula: C4H5 N O2
• Molecular Weight: 99.0892
• Hs Code.: 2926909090
• European Community (EC) Number: 872-138-7
• NSC Number: 71942
• UNII: VM1DZ0X2D6
• DSSTox Substance ID: DTXSID00142939
• Nikkaji Number: J35.141E
• Wikidata: Q27291897
• Mol file: 1001-55-4.mol

Synonyms:Cyanomethyl acetate;1001-55-4;Acetic acid cyanomethyl ester;Acetoxyacetonitrile;cyanomethylacetate;(ACETYLOXY)ACETONITRILE;2-Acetoxyacetonitrile;Glycolonitrile, acetate;Glycolonitrile, acetate (ester);Acetyloxyacetonitrile;Acetonitrile, (acetyloxy)-;HSDB 2124;NSC 71942;UNII-VM1DZ0X2D6;Kyanmethylester kyseliny octove [Czech];BRN 1745113;VM1DZ0X2D6;Kyanmethylester kyseliny octove;NSC-71942;3-03-00-00401 (Beilstein Handbook Reference);acetonitrile acetate;ACETOXYMETHYL CYANIDE;WLN: NC1OV1;Acetonitrilo, 2-(acetiloxi)-;DTXSID00142939;NSC71942;MFCD00242714;(ACETYLOXY)ACETONITRILE [HSDB];ACETONITRILE, 2-(ACETYLOXY)-;AKOS027473379;LS-72927;CS-0248523;EN300-40098;Q27291897

Chemical Property of Cyanomethyl acetate

Chemical Property:

• Vapor Pressure: 2mmHg at 25°C
• Melting Point: -22.4°C
• Refractive Index: 1.4166 (estimate)
• Boiling Point: 164°C at 760 mmHg
• Flash Point: 61.7°C
• PSA: 50.09000
• Density: 1.083g/cm³
• LogP: 0.07308
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 99.032028402
• Heavy Atom Count: 7
• Complexity: 110

Purity/Quality:

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

CYANOMETHYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitriles
• Canonical SMILES: CC(=O)OCC#N