17702-35-1

Basic information

• Product Name: 9,12-Diiodo-o-carborane
• Synonyms: 9,12-Diiodo-o-carborane
• CAS NO: 17702-35-1
• Molecular Formula: C₂H₁₀B₁₀I₂
• Molecular Weight: 0
• Mol File: 17702-35-1.mol
• Article Data: 11

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 9,12-Diiodo-o-carborane(CAS DataBase Reference)
• NIST Chemistry Reference: 9,12-Diiodo-o-carborane(17702-35-1)
• EPA Substance Registry System: 9,12-Diiodo-o-carborane(17702-35-1)

Safety Data

• Hazardous Substances Data: 17702-35-1(Hazardous Substances Data)

Upstream product

• 16872-09-6 1,2-dicarba-closo-dodecaborane⁽¹²⁾ 
• 7553-56-2 iodine 
• 7446-70-0 aluminium trichloride 
• 7758-05-6 potassium iodate 
• 7790-99-0 Iodine monochloride 
• 17830-03-4 9-iodo-o-carborane 
• 26375-71-3 8-iodo-1,2-dicarba-closo-dodecaborane 

Downstream Products

• 16872-09-6 1,2-dicarba-closo-dodecaborane⁽¹²⁾ 
• 328285-63-8 9,12-bis(3,5-difluorophenyl)-o-carborane 
• 328285-60-5 9,12-bis(4-fluorophenyl)-1,2-dicarba-closo-dodecaborane 
• 210697-94-2 9,12-bis(4-acetylphenyl)-1,2-dicarbadodecaborane⁽¹²⁾ 

Relevant articles and documents

Quantitative Assessment of Substitution NMR Effects in the Model Series of o-Carborane Derivatives: α-Shift Correlation Method

The principles of a new α-shift correlation (ASC) NMR method are demonstrated on a model series of substituted derivatives of o-carborane for which reliable NMR data are available. This graphical method revealed an acceptable linear correlation between α(11B) or α(13C) shifts and those induced by substituents in unsubstituted (u) positions of the carborane cluster. The linearity holds for all nuclei involved in skeletal bonding: Δδ(N)u = g × α (where N = 11B, 13C, and 1H). The factor g (slope of the correlation line × 102) becomes an important measure of sensitivity of a given cage position to substituent changes. The β, γ, and δ = A (= antipodal) shifts can be therefore derived from the α-shift, are linearly proportional, and reflect additive character in double substitution. The ASC method appears to be an important tool for quantitative assessment of substituent NMR effects in all exo-substituted boron-cluster systems.

Synthesis and deborination of polyhalo-substituted ortho-carboranes

Tetraiodo-1,2-dicarba-closo-dodecaborane and 9-bromo-8,10,12-triiodo-1,2- dicarba-closo-dodecaborane were synthesized by oxidative iodination of 1,2-dicarba-closo-dodecaborane and 9-bromo-1,2-dicarba-closododecaborane, respectively, in AcOH using a mixture of nitric and sulfuric acid as an oxidant of iodine. The intermediates in the ortho-carborane iodination were identified. By the action of elemental bromine on 9-iodo- 1,2-dicarba-closo-dodecaborane in the presence of aluminum chloride catalyst 9-iodo-8,10,12-tribromo-1,2- dicarba-closo-dodecaborane was obtained. Deborination of the synthesized substances with an alcohol solution of KOH led to formation of 1,5,6,10-tetraiodo-5-bromo-1,6,10-triiodo- and 5-iodo-1,6,10-tribromo-7,8- dicarbaundecaborates methylammonium salts. Pleiades Publishing, Ltd., 2011.

9,12-diiodo-1,2-dicarba-closo-dodecaborane(12)

The title compound, C2H10B10I2, has a pseudo-icosahedral cluster geometry. The crystal structure features an intermolecular C-H...I-B hydrogen bond with a normalized H...I distance of 3.00 A.