3,5-Dibromo-4H-1,2,4-triazole

C₂HBr₂N₃CAS 7411-23-6226.86 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂HBr₂N₃
Molar mass: 226.86 g/mol
Exact mass: 224.8537 Da
Melting point: 211–212 °C
logP: 1.33Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

7411-23-6

SMILES

Brc1n[nH]c(Br)n1

InChIKey

FRAKFBWDPXYIQO-UHFFFAOYSA-N

InChI

InChI=1S/C2HBr2N3/c3-1-5-2(4)7-6-1/h(H,5,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

3,5-Dibromo-1H-1,2,4-triazole
1H-1,2,4-Triazole, 3,5-dibromo-
s-Triazole, 3,5-dibromo-
3,5-Dibromo-1,2,4-triazole
NSC 222386

Work with 3,5-Dibromo-4H-1,2,4-triazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromo-1H-1,2,4-triazole7343-33-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4,5-Dibromo-1H-1,2,3-triazole15294-81-2

Elsewhere

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