3-Bromo-1H-1,2,4-triazole
Properties
- Molecular formula
- C2H2BrN3
- Molar mass
- 147.96 g/mol
- Exact mass
- 146.9432 Da
- logP
- 0.57Crippen 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
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
7343-33-1SMILES
C1=NNC(=N1)BrInChIKey
HHIZISRHAQPAMY-UHFFFAOYSA-NInChI
InChI=1S/C2H2BrN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C2H3BrN3 147.9505[M + Na]+
[M + Na]+ Calcd for C2H2BrN3Na 169.9324[M − H]−
[M − H]− Calcd for C2HBrN3 145.9359Elemental analysis
Anal. Calcd for C2H2BrN3: C, 16.24; H, 1.36; N, 28.40.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 name
- 1H-1,2,4-Triazole, 3-bromo-
Work with 3-Bromo-1H-1,2,4-triazole
Similar compounds
3-Amino-1,2,4-triazole61-82-542 % similar
2-Bromo-1H-imidazole16681-56-436 % similar
2H-1,2,4-Triazole-3-carboxamide3641-08-534 % similar
2-(1H-1,2,4-Triazol-5-yl)pyrazine130612-31-632 % similar
3-Bromo-1H-pyrazole14521-80-331 % similar
3,5-Dibromo-4H-1,2,4-triazole7411-23-631 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.