4,5-Dibromo-1H-1,2,3-triazole
Properties
- Molecular formula
- C2HBr2N3
- Molar mass
- 226.86 g/mol
- Exact mass
- 224.8537 Da
- logP
- 1.33Crippen estimate
- Polar surface area
- 41.6 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
15294-81-2SMILES
C1(=NNN=C1Br)BrInChIKey
GUQUYKTWVBJKFL-UHFFFAOYSA-NInChI
InChI=1S/C2HBr2N3/c3-1-2(4)6-7-5-1/h(H,5,6,7)Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C2H2Br2N3 225.8610[M + Na]+
[M + Na]+ Calcd for C2HBr2N3Na 247.8429[M − H]−
[M − H]− Calcd for C2Br2N3 223.8464Elemental analysis
Anal. Calcd for C2HBr2N3: C, 10.59; H, 0.44; N, 18.52.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4,5-Dibromo-1H-1,2,3-triazole
Similar compounds
3,4,5-Tribromo-1H-pyrazole17635-44-836 % similar
3-Bromo-1H-indazole40598-94-531 % similar
6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione4956-05-231 % similar
2,4,5-Tribromoimidazole2034-22-230 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.