5-Phenyl-1H-1,2,3-triazole-4-carboxylic Acid - CAS 830-78-4
Catalog: |
BB058227 |
Product Name: |
5-Phenyl-1H-1,2,3-triazole-4-carboxylic Acid |
CAS: |
830-78-4 |
Synonyms: |
5-Phenyl-1H-1,2,3-triazole-4-carboxylic acid; 5-phenyl-2H-triazole-4-carboxylic acid; 4-phenyl-1H-1,2,3-triazole-5-carboxylic acid; 5-phenyl-2H-1,2,3-triazole-4-carboxylic acid; 5-Phenyl-2H-[1,2,3]triazole-4-carboxylic acid |
IUPAC Name: | 5-phenyl-2H-triazole-4-carboxylic acid |
Description: | 5-phenyl-1H-1,2,3-triazole-4-carboxylic acid (cas# 830-78-4) is a useful research chemical. |
Molecular Weight: | 189.17 |
Molecular Formula: | C9H7N3O2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NNN=C2C(=O)O |
InChI: | InChI=1S/C9H7N3O2/c13-9(14)8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,10,11,12) |
InChI Key: | KZVFXYXQNAYXFT-UHFFFAOYSA-N |
Melting Point: | 200 - 201°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Off-White Solid |
Storage: | -20°C Freezer, Under inert atmosphere |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021128532-A1 | Heterocyclic carboxylate compounds as glycolate oxidase inhibitors | 20191101 |
WO-2021086874-A1 | Heterocyclic carboxylate compounds as glycolate oxidase inhibitors | 20191101 |
CN-106588790-A | Synthetic process of NH-1, 2, 3-triazole-4-carboxylic acid compound | 20161207 |
CN-106749054-A | The synthesis technique of the carboxylic acid compound of 1,2,3 triazoles of NH 4 | 20161207 |
WO-2018064119-A1 | Calpain modulators and therapeutic uses thereof | 20160928 |
US-10934261-B2 | Calpain modulators and therapeutic uses thereof | 20160928 |
US-2014228367-A1 | Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors | 20110805 |
US-2016303128-A1 | Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors | 20110805 |
US-2018125848-A1 | Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors | 20110805 |
US-9221805-B2 | Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors | 20110805 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.053826475 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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