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1,4-Cubanedicarboxylic acid

ALDRICH/901000 - ≥97%

Synonym: (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

CAS Number: 32846-66-5
Empirical Formula (Hill Notation): C10H8O4
Molecular Weight: 192.17
Linear Formula: C10H8O4
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-901000-1G 1 g
 $642.00
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This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 901000-1G.

 

assay ≥97%
form powder
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
mp 224 °C
Quality Level 100 
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
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: Cubane derivatives 1. Synthesis and molecular structures of the esters of 1, 4-cubanedicarboxylic acid. 
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. 
Symbol GHS06  GHS06
Signal word Danger
Hazard statements H301
Precautionary statements P301 + P330 + P331 + P310
RIDADR UN 2811 6.1 / PGIII
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥97%
mp 224 °C
UNSPSC 12352106

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