4,5-Dibromo-1,2,3-triazole - CAS 15294-81-2
Catalog: |
BB010831 |
Product Name: |
4,5-Dibromo-1,2,3-triazole |
CAS: |
15294-81-2 |
Synonyms: |
4,5-dibromo-2H-triazole; 4,5-dibromo-2H-triazole |
IUPAC Name: | 4,5-dibromo-2H-triazole |
Description: | 4,5-Dibromo-1,2,3-triazole (CAS# 15294-81-2) is an intermediate used in preparation of isoxazole derivative herbicides. |
Molecular Weight: | 226.86 |
Molecular Formula: | C2HBr2N3 |
Canonical SMILES: | C1(=NNN=C1Br)Br |
InChI: | InChI=1S/C2HBr2N3/c3-1-2(4)6-7-5-1/h(H,5,6,7) |
InChI Key: | GUQUYKTWVBJKFL-UHFFFAOYSA-N |
Boiling Point: | 347.5 °C at 760 mmHg |
Density: | 2.62 g/cm3 |
MDL: | MFCD08062401 |
LogP: | 1.32970 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021197276-A1 | Amide compounds and uses thereof | 20200330 |
US-2021171500-A1 | Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof | 20191115 |
WO-2021097039-A1 | Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof | 20191115 |
US-2021115053-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191016 |
WO-2021076728-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191016 |
PMID | Publication Date | Title | Journal |
19813750 | 20091105 | Highly regioselective N-2 arylation of 4,5-dibromo-1,2,3-triazole: efficient synthesis of 2-aryltriazoles | Organic letters |
Complexity: | 60 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.85167 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.85372 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Triazole/Tetrazole
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