13947-84-7

Basic information

• Product Name: N'-Cyano-O-ethylisourea
• Synonyms: N'-Cyano-O-ethylisourea
• CAS NO: 13947-84-7
• Molecular Formula: C4H7 N3 O
• Molecular Weight: 113.1179
• Mol File: 13947-84-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 175.5°Cat760mmHg
• Flash Point: 59.9°C
• Appearance: /
• Density: 1.12g/cm³
• CAS DataBase Reference: N'-Cyano-O-ethylisourea(CAS DataBase Reference)
• NIST Chemistry Reference: N'-Cyano-O-ethylisourea(13947-84-7)
• EPA Substance Registry System: N'-Cyano-O-ethylisourea(13947-84-7)

Safety Data

• Hazardous Substances Data: 13947-84-7(Hazardous Substances Data)

Upstream product

• 506-68-3 bromocyane 
• 64-17-5 ethanol 
• 420-04-2 CYANAMID 
• 141-52-6 sodium ethanolate 
• 7647-01-0 hydrogenchloride 
• 1934-75-4 sodium dicyanamide 
• 57-15-8 1,1,1-trichloro-2-methyl-2-propanol 
• 627-48-5 ethyl cyanate 

Downstream Products

• 80355-90-4 2-Chloro-4-ethoxy-6-p-tolyl-1,3,5-triazine 

Relevant articles and documents

Crystal structure and ab initio calculations of a cyano-carbamimidic acid ethyl ester

The structure of one tautomer (amine form) of cyano-carbamimidic acid ethyl ester or (amino-ethoxy-methylidene)aminoformonitrile (CAS: 13947-84-7) was determined by single crystal X-ray diffraction. Ab initio quantum chemical calculations at the B3LYP, MP2 and G3 levels were performed to investigate the stability and the formation of the different tautomers and conformers. The calculations indicate that the amine form is the more stable tautomer, showing a high degree of electron conjugation. The most stable amine conformer located by the calculations corresponds to the crystallized structure. On the contrary, in the less stable imine form, the conjugation is separated by a N2-C2 single bond.

The reactions of ethyl-, vinyl-, and ethynyl(trichloromethyl)carbinols with aqueous amd methanolic potassium hydroxide, thiourea, and cyanamide

The reactions of ethyl(trichloromethyl)carbinol, dimethyl(trichloromethyl)carbinol. (trichloromethyl)vinylcarbinol, ethynyl(trichloromethyl)carbinol, and 1,1,1-trichloro-3-nonyn-2-ol have been studied with the following reagents.Methanolic potassium hydroxide: α-methoxy acids are formed in 70 and 79 percent yields with the ethyl- and vinylcarbinols respectively.Double bond migration to the conjugated position was observed with the vinylcarbinol.Thiourea: substituted 2-imino-4-thiazolidinones are formed in 27 to 66 percent yield with the first three carbinols with double bond migration in the case of the vinylcarbinol.Cyanamide: the saturated carbinols were converted to substituted ethyl 2-imino-4-oxo-1-imidazolidinecarboximidates in 30 to 60 percent yield.Aqueous potassium hydroxide: α-chloro acids were formed from the ethyl- and vinylcarbinols in 23 and 24 percent yields respectively, again with double bond migration in the case of the vinylcarbinol.The results are discussed in terms of the known parallel reactions with phenyl(trichloromethyl)carbinol, and provide information which illustrates the usefulness and defines the limits of certain known synthetic reactions when applied to the alkyl, alkenyl, and alkynyl trichloromethylcarbinols.