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1h-1,2,4-Triazole-5-Carboxylic Acid

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1H-1,2,4-Triazole-5-Carboxylic Acid / CAS : 39925-10-5

Appearance White crystalline powder UN 0.0
HS 29349990 DG Class 0.0
Synonyms 1,2,4-Triazole-3-Carboxylic Acid; 1-(2,3,5-tri-o-Acetyl-β-d-Ribofuranosyl)-1h-1,2,4-Triazole-3-Carboxylicacid,Methylester; Methyl 1-[(2R,3R,4R,5R)-3,4-Diacetyloxy-5-(Acetyloxymethyl)Oxolan-2-yl]-1,2,4-Triazole-3-Carboxylate; 1-(2 3 5-TRI-O-Acetyl-BETA-D-
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Properties

Summary

Formula
C15H19N3O9
Molecular Mass
385.32600
Exact Mass
385.11200
PSA
145.14000
Logp
-0.61140
IUPAC
methyl 1-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxylate
SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=N2)C(=O)OC)OC(=O)C)OC(=O)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
103-107ºC
Density
1.50±0.1 g/cm3(Predicted)
Boiling Point
521.5±60.0 °C(Predicted)
Appearance
White crystalline powder
Acidity and Basicity
alkalinity

Export information

HS Code
29349990
Export Rebate
10%
UN No.
0.0
DG-Class
0.0

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