21729-98-6

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21729-98-6 Structure

Identification	Back Directory
[Name] Methylcyanocarbamate
[CAS] 21729-98-6
[Synonyms] Methylcyancarbamat Methylcyanocarbamate Methyl cyanocarbamate Methyl N-cyanocarbamate Methoxycarbonylcyanamide METHYL CYANAMIDO FORMATE cyano-carbamic acid methyl ester N-cyanocarbamic acid methyl ester Carbamic acid, N-cyano-, methyl ester Albendazole Impurity 7 (Methyl Cyanocarbamate)
[EINECS(EC#)] 244-548-0
[Molecular Formula] C3H4N2O2
[MOL File] 21729-98-6.mol
[Molecular Weight] 100.08

Chemical Properties	Back Directory
[density ] 1.272 g/cm3
[storage temp. ] Store at room temperature
[pka] 4.24±0.46(Predicted)
[Appearance] White to off-white Solid
[InChI] InChI=1S/C3H4N2O2/c1-7-3(6)5-2-4/h1H3,(H,5,6)
[InChIKey] ZSYJMXLJNPEAGP-UHFFFAOYSA-N
[SMILES] C(OC)(=O)NC#N
[CAS DataBase Reference] 21729-98-6
[EPA Substance Registry System] Methyl cyanocarbamate (21729-98-6)

Raw materials And Preparation Products	Back Directory
[Raw materials] o-Phenylenediamine-->Methyl chloroformate-->Calcium cyanamide-->Carbendazim
[Preparation Products] Carbendazim-->Mebendazole-->Albendazole

Hazard Information	Back Directory
[Chemical Properties] Methyl cyanocarbamate calcium salt [Ca²⁺ + (NCN^-—COOCH₃)₂] reacts with acid to form methyl cyanocarbamate, which is unstable to heat.
[Uses] Methylcyanocarbamate is an impurity of Albendazole (A511610), an anthelmintic drug. (Albendazole Impurity 7)

Spectrum Detail	Back Directory
[Spectrum Detail] Methylcyanocarbamate(21729-98-6)¹HNMR

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