Methyl-1H-1,2,4-triazole-3-carboxylate , 99% , 4928-88-5

CAS NO.：4928-88-5

Empirical Formula: C4H5N3O2

Molecular Weight: 127.1

MDL number: MFCD00135989

EINECS: 480-470-5

PRODUCT Properties

• Melting point: 196-199 °C(lit.)
• Boiling point: 283.9±23.0 °C(Predicted)
• Density: 1.380±0.06 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Liquid
• pka: 7.96±0.20(Predicted)
• color: Clear colorless to yellow
• InChI: InChI=1S/C4H5N3O2/c1-9-4(8)3-5-2-6-7-3/h2H,1H3,(H,5,6,7)
• InChIKey: QMPFMODFBNEYJH-UHFFFAOYSA-N
• SMILES: N1C(C(OC)=O)=NC=N1
• CAS DataBase Reference: 4928-88-5(CAS DataBase Reference)

Description and Uses

Methyl-1H-1,2,4-triazole-3-carboxylate (1,2,4-Triazole-3-methylcarboxylate) may be used in the preparation of 1H-1,2,4-triazole-3-carbohydrazide.
It may also be used in the synthesis of the following nucleoside analogues:

• 1-(2,2-dimethyl-6-trityloxymethyl-4,6a-dihydro-3aH-cyclopenta-[1,3]dioxol-4-yl)-1H-1,2,4-triazole-3-carboxylic acid methyl ester
• methyl 4,6-O-benzylidene-2-(methyl 1H-1,2,4-triazol-1-yl-3-carboxylate)-2-deoxy-<SC>D</SC>-altrohexopyranoside
• 1,5-anhydro-4,6-O-benzylidene-2-(methyl 1H-1,2,4-triazol-1-yl-3-carboxylate)-2-deoxy-<SC>D</SC>-altro-hexitol

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• target organs: Respiratory system
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36-37
• WGK Germany: 3
• HS Code: 29339900
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Eye Irrit. 2; Skin Irrit. 2; STOT SE 3