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1,4-Cubanedicarboxylic acid

Base Information Edit
  • Chemical Name:1,4-Cubanedicarboxylic acid
  • CAS No.:32846-66-5
  • Molecular Formula:C10H8 O4
  • Molecular Weight:192.171
  • Hs Code.:29172090
  • European Community (EC) Number:809-101-1
  • NSC Number:679808,124087
  • DSSTox Substance ID:DTXSID30298539
  • Nikkaji Number:J20.273H
  • Wikidata:Q82040404
  • Mol file:32846-66-5.mol
1,4-Cubanedicarboxylic acid

Synonyms:1,4-Cubanedicarboxylic acid;32846-66-5;cubane-1,4-dicarboxylic acid;1,4-Dicarboxycubane;cubane-1,8-dicarboxylic acid;Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylicacid;Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid;NSC679808;ChemDiv2_000179;Cambridge id 5350434;Oprea1_186966;SCHEMBL838877;YSCH0119;DTXSID30298539;HMS1369I03;MFCD08458496;NSC124087;STK529460;AKOS001483049;NSC 124087;NSC 679808;NSC-124087;NSC-679808;SB13676;SS-5129;1,4-Cubanedicarboxylic acid, AldrichCPR;AS-52946;CS-0052729;EU-0033299;EN300-93166;(1r,2R,3r,8S)-cubane-1,4-dicarboxylic acid;P15899;A857152;SR-01000388398;SR-01000388398-1;Z1262510668;pentacyclo[4.2.0.0~2,5~.0~3,8~.0~4,7~]octane-1,4-dicarboxylic acid

Suppliers and Price of 1,4-Cubanedicarboxylic acid
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 1,4-Cubanedicarboxylic acid
  • 10mg
  • $ 50.00
  • SynQuest Laboratories
  • (1S,2R,3R,8S)-Cubane-1,4-dicarboxylic acid 95%
  • 1 g
  • $ 1290.00
  • SynQuest Laboratories
  • (1S,2R,3R,8S)-Cubane-1,4-dicarboxylic acid 95%
  • 250 mg
  • $ 496.00
  • Sigma-Aldrich
  • 1,4-Cubanedicarboxylic acid ≥97%
  • 1g
  • $ 537.00
  • Sigma-Aldrich
  • 1,4-Cubanedicarboxylic acid Aldrich
  • 1g
  • $ 514.00
  • Crysdot
  • Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylicacid 95+%
  • 1g
  • $ 1000.00
  • Crysdot
  • Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylicacid 95+%
  • 250mg
  • $ 365.00
  • Apolloscientific
  • (1S,2R,3R,8S)-Cubane-1,4-dicarboxylicacid 95%
  • 250mg
  • $ 450.00
  • Apolloscientific
  • (1S,2R,3R,8S)-Cubane-1,4-dicarboxylicacid 95%
  • 1g
  • $ 1169.00
  • American Custom Chemicals Corporation
  • 1,4-CUBANEDICARBOXYLIC ACID 95.00%
  • 1G
  • $ 1152.11
Total 37 raw suppliers
Chemical Property of 1,4-Cubanedicarboxylic acid Edit
Chemical Property:
  • Vapor Pressure:1.22E-09mmHg at 25°C 
  • Melting Point:224°C 
  • Boiling Point:457.4 °C at 760 mmHg 
  • PKA:3.97±0.40(Predicted) 
  • Flash Point:244.6 °C 
  • PSA:74.60000 
  • Density:2.401 g/cm3 
  • LogP:-0.10640 
  • Storage Temp.:Sealed in dry,Room Temperature 
  • XLogP3:-0.7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:2
  • Exact Mass:192.04225873
  • Heavy Atom Count:14
  • Complexity:356
Purity/Quality:

98%,99%, *data from raw suppliers

1,4-Cubanedicarboxylic acid *data from reagent suppliers

Safty Information:
  • Pictogram(s):
  • Hazard Codes:
  • Statements: 25 
  • Safety Statements: 45 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C12C3C4C1(C5C2C3(C45)C(=O)O)C(=O)O
  • Uses 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.
Technology Process of 1,4-Cubanedicarboxylic acid

There total 21 articles about 1,4-Cubanedicarboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
With sodium hydroxide; In methanol; water; for 4h; Heating;
DOI:10.1055/s-1995-3961
Guidance literature:
With water; sodium hydroxide; In methanol; for 4.5h; Reflux;
DOI:10.1002/adsc.201100145
Guidance literature:
With dmap; 2-mercaptopyridine-1-oxide sodium salt; 2-methylpropan-2-thiol; In benzene; Heating; Irradiation;
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