5-Bromo-1,2,4-triazole - CAS 7343-33-1
Catalog: |
BB034844 |
Product Name: |
5-Bromo-1,2,4-triazole |
CAS: |
7343-33-1 |
Synonyms: |
5-bromo-1H-1,2,4-triazole; 5-bromo-1H-1,2,4-triazole |
IUPAC Name: | 5-bromo-1H-1,2,4-triazole |
Description: | 5-Bromo-1,2,4-triazole (CAS# 7343-33-1) is used as a ligand for transition metals to create coordination complexes. 3-Bromo-1H-1,2,4-triazole is also from a family of 1,2,4-triazoles that have the ability to accept and transfer acyl groups in synthetic reactions, making it a useful catalyst for the synthesis of esters (e.g.2,2-Dimethylacetoacetic Acid Ethyl Ester [D460776]). |
Molecular Weight: | 147.96 |
Molecular Formula: | C2H2BrN3 |
Canonical SMILES: | C1=NNC(=N1)Br |
InChI: | InChI=1S/C2H2BrN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6) |
InChI Key: | HHIZISRHAQPAMY-UHFFFAOYSA-N |
Boiling Point: | 295.4 ℃ at 760 mmHg |
Density: | 2.102 g/cm3 |
MDL: | MFCD01421960 |
LogP: | 0.56720 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113248474-A | Five-membered azole heterocyclic derivative and preparation method and application thereof | 20210524 |
CN-113045993-A | Polishing solution for processing ultra-smooth low-damage bearing steel surface and application thereof | 20210325 |
CN-112679477-A | Preparation method of celecoxib and intermediate thereof | 20201217 |
CN-111848718-A | Tripterine nitrogenous five-membered heterocyclic derivative and preparation method and application thereof | 20200819 |
US-2021171529-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 20191125 |
Complexity: | 48.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.94321 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.94321 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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