chempirical

Neocarborane

C2H2B10CAS 16986-24-6134.14 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C2H2B10
Molar mass
134.14 g/mol
Exact mass
136.1087 Da
Melting point
263.5–265 °C
logP
-3.13Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
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
16986-24-6
SMILES
[B]1[B][B][B][B]C2[B]C([B]2)[B][B][B]1
InChIKey
JTWJUVSLJRLZFF-UHFFFAOYSA-N
InChI
InChI=1S/C2H12B10/c1-3-2-4(1,3)6(1)8(2,4)10(2)7(2,3)5(1,3)9(1,6)11(5,7,10)12(6,8,9)10/h1-12H

Weigh it out

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

Names and synonyms

10 names
  • 1,7-Dicarbadodecaborane(12)
  • m-Barene
  • m-Dicarbadodecaborane(12)
  • Neobarene
  • m-Carborane
  • m-Decaborocarborane
  • m-Carborane(12)
  • 1,7-Dicarba-closo-dodecaborane
  • 1,7-Dicarbadodecaborane
  • 1,7-Dicarba-closo-dodecaborane(12)

Work with Neocarborane

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

Same formula

ortho-Carborane16872-09-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook