Description

The (1alpha,2alpha,4alpha)-1,2,4-Cyclohexanetricarboxylic Acid (CAS No. 76784-95-7) is a high-purity cyclohexane derivative with a molecular formula of C₉H₁₂O₆. This compound is characterized by its three carboxylic acid functional groups positioned at the 1, 2, and 4 carbon atoms of the cyclohexane ring in an alpha configuration. It is an essential intermediate in organic synthesis and pharmaceutical research, offering versatility in the development of complex molecules. With a molecular weight of 216.19 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Ideal for researchers and scientists, this product is rigorously tested for quality and consistency, ensuring reliable performance in synthetic applications. Store in a cool, dry place away from light and moisture to maintain stability.

Properties

• CAS Number: 76784-95-7
• Complexity: 297
• IUPAC Name: (1S,2R,4R)-cyclohexane-1,2,4-tricarboxylic acid
• InChI: InChI=1S/C9H12O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+,6-/m1/s1
• InChI Key: WTNDADANUZETTI-NGJCXOISSA-N
• Exact Mass: 216.06338810
• Molecular Formula: C9H12O6
• Molecular Weight: 216.19
• SMILES: C1C[C@@H]([C@@H](C[C@@H]1C(=O)O)C(=O)O)C(=O)O
• Topological: 112
• Monoisotopic Mass: 216.06338810
• Synonyms: (1alpha,2alpha,4alpha)-1,2,4-Cyclohexanetricarboxylic Acid, 680-210-2, 76784-95-7, (1S,2R,4R)-CYCLOHEXANE-1,2,4-TRICARBOXYLIC ACID, SCHEMBL2019218, BS-22438, CS-0455680, D89483, 2380888-26-4

(1alpha,2alpha,4alpha)-1,2,4-Cyclohexanetricarboxylic Acid is widely used as a key building block in organic synthesis, particularly in the development of pharmaceutical compounds and specialty chemicals. Its tricarboxylic structure makes it valuable for creating complex molecular architectures, such as metal-organic frameworks (MOFs) and ligands for catalysis. Researchers also employ it in studies of stereochemistry and ring conformation due to its rigid cyclohexane backbone. Additionally, it serves as a precursor for polymer modification and functional material synthesis.

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%)

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