Atomfair (1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetricarboxylic Acid C9H12O6 CAS 16526-68-4

Description

(1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetricarboxylic Acid is a high-purity, cyclic tricarboxylic acid derivative with the molecular formula C₉H₁₂O₆. This compound, also known as cyclohexane-1,3,5-tricarboxylic acid, features a stereochemically defined cyclohexane backbone with three carboxyl groups at the 1, 3, and 5 positions, making it a versatile building block for organic synthesis and coordination chemistry. Its rigid, symmetric structure is ideal for the design of metal-organic frameworks (MOFs), supramolecular assemblies, and as a ligand for transition metal catalysts. Available in >98% purity, this product is rigorously tested by HPLC, NMR, and mass spectrometry to ensure consistency for research applications. Packaged under inert gas to enhance stability, it is suitable for use in pharmaceutical intermediates, polymer chemistry, and materials science research.

Properties

• CAS Number: 16526-68-4
• Complexity: 237
• IUPAC Name: cyclohexane-1,3,5-tricarboxylic acid
• InChI: InChI=1S/C9H12O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
• InChI Key: FTHDNRBKSLBLDA-UHFFFAOYSA-N
• Exact Mass: 216.06338810
• Molecular Formula: C9H12O6
• Molecular Weight: 216.19
• SMILES: C1C(CC(CC1C(=O)O)C(=O)O)C(=O)O
• Topological: 112
• Monoisotopic Mass: 216.06338810
• Synonyms: 1,3,5-Cyclohexanetricarboxylic acid, (1alpha,3alpha,5alpha)-, (1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetricarboxylic Acid, 1,3,5-Cyclohexanetricarboxylic acid, (1.alpha.,3.alpha.,5.alpha.)-, 628-569-6, cyclohexane-1,3,5-tricarboxylic acid, 16526-68-4, 25357-95-3, 1,3,5-Cyclohexanetricarboxylic acid, Cis,cis-cyclohexane-1,3,5-tricarboxylic acid, cis,cis-1,3,5-Cyclohexanetricarboxylic acid, 16526-69-5, MFCD00075294, (1R,3S,5S)-CYCLOHEXANE-1,3,5-TRICARBOXYLIC ACID, trans-cyclohexane-1,3,5-tricarboxylic acid, Cyclohexane-1alpha,3alpha,5beta-tricarboxylic acid, NSC409575, starbld0014319, SCHEMBL326061, SCHEMBL2038877, SCHEMBL6542917, SCHEMBL21085036, SCHEMBL23366184, DTXSID90937053, FTHDNRBKSLBLDA-UHFFFAOYSA-N, DTXSID901247638, RAA52668, MFCD00134148, AKOS002735652, AKOS015914607, NSC-409575, AS-62694, SY060417, C2029, C2063, CS-0182949, ST50997672, D89479, EN300-343599, 1,3,5-Cyclohexanetricarboxylic acid, cis 90 %, 1,3,5-Cyclohexanetricarboxylic acid, cis 95 %, A877613, (1|A,3|A,5|A)-1,3,5-Cyclohexanetricarboxylic Acid, 1,3,5-Cyclohexanetricarboxylic acid, (1|A,3|A,5|A)-, (1I+/-,3I+/-,5I(2))-1,3,5-Cyclohexanetricarboxylic acid

Application

(1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetricarboxylic Acid is widely used as a trifunctional linker in the synthesis of metal-organic frameworks (MOFs) due to its rigid, symmetric geometry. It serves as a key intermediate in the development of pharmaceutical compounds and chiral catalysts. Researchers also employ it in polymer chemistry to create cross-linked networks with enhanced thermal stability.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.5%)

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