ortho-Carborane
Properties
- Molecular formula
- C2H2B10
- Molar mass
- 134.14 g/mol
- Exact mass
- 136.1087 Da
- logP
- -3.25Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
- Double bonds
- ZE/Z, in SMILES order
Hazards
Danger
- H228 Flammable solid11.1% of notifiers
- H302 Harmful if swallowed13.3% of notifiers
- H312 Harmful in contact with skin88.9% of notifiers
- H332 Harmful if inhaled88.9% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P240, P241, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P378, P501
Identifiers
CAS number
16872-09-6SMILES
B1=BB=BB=B/C=C\B=BB=B1InChIKey
GJLPUBMCTFOXHD-UPHRSURJSA-NInChI
InChI=1S/C2H2B10/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H/b2-1-Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 5.66 (s, 2H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 145.8.[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 135.1014Elemental 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
14 names · show all
- 1,2-Dicarbadodecaborane(12)
- Barene
- Decaborinene
- o-Dicarbadodecaborane(12)
- o-Carborane
- o-Barene
- 1,2-Dicarba-closo-dodecaborane(12)
- o-Carborane(12)
- Dekene
- 1,2-Dicarbadodecaborane
- Closo-1,2-Dicarbadodecaborane
- 1,2-Dicarba-o-carborane
- Closo-Ortho-carborane
- Closo-1,2-Dicarbadodecaborane(12)