1H-1,2,4-Triazole-3-carboxylicacid,1-(cyanomethyl)-,methyl ester

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Catalog Number

ACM64074255

Product Name

Structure

CAS

64074-25-5

Category

Heterocyclic Organic Compound

Synonyms

1H-1,2,4-Triazole-3-carboxylicacid,1-(cyanomethyl)-,methylester(9CI)

IUPAC Name

methyl 1-(cyanomethyl)-1,2,4-triazole-3-carboxylate

Molecular Weight

166.1374

Molecular Formula

C₆H₆N₄O₂

Canonical SMILES

COC(=O)C1=NN(C=N1)CC#N

InChI Key

JRAQCDVKAYYHHD-UHFFFAOYSA-N

Boiling Point

365.6ºC at 760 mmHg

Melting Point

218-220ºC

Flash Point

174.9ºC

Density

1.37 g/cm³

Appearance

White powder

Exact Mass

166.04900

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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