1H-1,2,3-Triazole - ≥98% , CAS No.288-36-8

CAS: 288-36-8 Cat. No.: H157233 Molecular Weight: 69.07 Beilstein Registry Number: 26,11 EC Number: 608-262-3 PubChem CID: 67516

GRADE & PURITY ≥98%

Synonyms

1,2,3-1H-Triazole | 1-H-1, 2, 3-triazole | AB01140 | CHEBI:35565 | DTXSID30870495 | 1,2,3 triazole | 2H-(1,2,3)-triazole | triazol | 1,2,3-triazol | 1,2,3-Triazole | BCP18903 | racemic triazole | InChI=1/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5 | A25412 | A8189

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Overview

2H-1,2,3-triazole is tautomeric form of 1H-1,2,3-triazole. 1H-1,2,3-triazole effectively promotes the proton conduction in polymer electrolyte membranes via an intermolecular proton-transfer mechanism.

Specifications

Synonyms

1, 2, 3-1H-Triazole | 1-H-1, 2, 3-triazole | AB01140 | CHEBI:35565 | DTXSID30870495 | 1, 2, 3 triazole | 2H-(1, 2, 3)-triazole | triazol | 1, 2, 3-triazol | 1, 2, 3-Triazole | BCP18903 | racemic triazole | InChI=1/C2H3N3/c1-2-4-5-3-1/h1-2H, (H, 3, 4, 5 | A25412 | A8189

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183942
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183942
• Canonical Smiles: c1c[nH]nn1
• IUPAC Name: 2H-triazole
• InChIKey: QWENRTYMTSOGBR-UHFFFAOYSA-N
• INCHI: 1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)
• Isomeric SMILES: C1=NNN=C1
• WGK Germany: 3
• Alternate CAS: 288-35-7
• PubChem CID: 67516
• Molecular Weight: 69.07
• Beilstein: 26,11
• Reaxy-Rn: 104766

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - 1,2,3-triazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.
• External Descriptors: 1,2,3-triazole

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in Methanol almost transparency;Fully miscible in water.
• Refractive Index: 1.498
• Flash Point(°F): 224.6 °F
• Flash Point(°C): 107 °C
• Boil Point(°C): 203 °C/752 mmHg
• Melt Point(°C): 23-25°C
• Molecular Weight: 69.070 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 69.0327 Da
• Monoisotopic Mass: 69.0327 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 24.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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