Neocarborane

C₂H₂B₁₀CAS 16986-24-6134.14 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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/C2H2B10/c3-1-4-2(3)6-8-10-12-11-9-7-5-1/h1-2H

Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+

[M + H]+ Calcd for C2H3B10 137.1160

[M + Na]+

[M + Na]+ Calcd for C2H2B10Na 159.0979

[M − H]−

[M − H]− Calcd for C2HB10 135.1014

Elemental analysis

Anal. Calcd for C2H2B10: C, 17.91; H, 1.50.

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