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901000 Sigma-Aldrich

1,4-Cubanedicarboxylic acid

≥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

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis,
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

Description

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.

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.

Safety & Documentation

Safety Information

Symbol 
GHS06  GHS06
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 2811 6.1 / PGIII
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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