141583-69-9

Basic information

• Product Name: (CH₃)C₂B₁₀H₁₀(C₆H₃Cl₂)
• CAS NO: 141583-69-9
• Molecular Weight: 303.242
• Mol File: 141583-69-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (CH₃)C₂B₁₀H₁₀(C₆H₃Cl₂)(CAS DataBase Reference)
• NIST Chemistry Reference: (CH₃)C₂B₁₀H₁₀(C₆H₃Cl₂)(141583-69-9)
• EPA Substance Registry System: (CH₃)C₂B₁₀H₁₀(C₆H₃Cl₂)(141583-69-9)

Safety Data

• Hazardous Substances Data: 141583-69-9(Hazardous Substances Data)

Upstream product

• 16872-10-9 1-methyl-o-carborane 
• 70140-19-1 tricarbonyl(η⁶-ortho-dichlorobenzene)chromium 

Relevant articles and documents

Reactions of anionic carborane nucleophiles with chromium-coordinated haloarenes

Lithiated C-methyl-o-carborane, LiC2B10H10-(CH3), reacts with the complexes (η6-arene)Cr(CO)3 to yield C-methyl-C′-aryl-substituted carboranes. With the complexes (η6-o-C6H4X2)Cr(CO)3, the carborane displaces either a hydrogen atom (X = Cl) or a halide (X = F) from the arene ring to give 1-(1′-closo-2′-CH3-1′,2′-C2B 10H10)-2,3-Cl2C6H3 (1) or 1-(1-closo-2′-CH3-1′,2′-C2B 10H10)-2-FC6H4 (2), respectively. Reaction of 2 equiv of LiC2B10H10(CH3) with (η6-p-C6H4F2)Cr(CO)3 results in the displacement of both fluoride atoms on the arene ring to yield the p-phenylene compound 1,4-(1′-closo-2′-CH3-1′,1′-C 2B10H10)2C6H4 (3). Compounds 1 and 3 have been characterized by X-ray crystallography. 1 crystallized in the monoclinic space group P21 with a = 7.2516 (7), b = 7.7424 (8), and c = 13.4028 (13) A?; β= 97.389 (3)°; V = 750 A?3; and Z = 2. Data were collected at 128 K on a modified Picker FACS-1 diffractometer, using Mo Kα radiation, to a maximum 2θ = 50°, giving 1421 unique reflections, and the structure was solved by direct methods. The final discrepancy index was R = 0.038, Rw = 0.051 for 1355 independent reflections with I > 3σ(I). The C-C bond in the carborane is unusually long, 1.706 (5) A?, but it is the shortest interatomic distance within the icosahedron. 3 crystallized in the monoclinic space group P21/n with a = 7.024 (1), b = 13.764 (4), and c = 12.335 (4) A?; β = 90.99 (1)°; V = 1192 A?3; and Z = 2. Data were collected on a modified Syntex P1 diffractometer, using Cu Kα radiation, to a maximum 2θ = 100°, giving 1219 unique reflections, and the structure was solved by direct methods. The final discrepancy index was R = 0.061, Rw = 0.086 for 1020 independent reflections with I > 2σ(I). The molecule is centrosymmetric. The C-C bond in the carborane is rather long, 1.684 (5) A?, but it is the shortest interatomic distance in the icosahedron.