901000

1,4-Cubanedicarboxylic acid

≥97%

• Sinónimos: (1S,2R,3R,4S,5R,6S,7S,8S)-Cubane-1,4-dicarboxylic acid, Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid
• Fórmula empírica (notación de Hill): C₁₀H₈O₄
• Número de CAS: 32846-66-5
• Peso molecular: 192.17
• UNSPSC Code: 12352106
• NACRES: NA.22

Propiedades

• Quality Level: 100
• assay: ≥97%
• form: powder
• mp: 224 °C
• SMILES string: OC([C@]12[C@H]3[C@H]4[C@@H]1[C@H]5[C@@]4(C(O)=O)[C@H]3[C@@H]52)=O
• InChI: 1S/C10H8O4/c11-7(12)9-1-2-4(9)6-5(9)3(1)10(2,6)8(13)14/h1-6H,(H,11,12)(H,13,14)
• InChI key: JFKXMJUMOJJTCQ-UHFFFAOYSA-N

Descripción

Application

1,4-Cubanedicarboxylic acid can undergo esterification with alkylsulfuric acids. The acid and its ester derivatives are also capable of undergoing fluorination with elemental fluorine. This product was previously listed as BML00135.

Other Notes

NMR study on the interaction of 1, 4-cubanedicarboxylic acid and its esters with elemental fluorine. The synthesis of dimethyl 2-fluorocubane-1, 4-dicarboxylate.

Cubane derivatives 1. Synthesis and molecular structures of the esters of 1, 4-cubanedicarboxylic acid.

Información de seguridad

• pictograms: GHS06
• signalword: Danger
• hcodes: H301
• pcodes: P301 + P330 + P331 + P310
• Hazard Classifications: Acute Tox. 3 Oral
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable