Trimesic acid

• CAS: 554-95-0
• Catalog Number: ACM554950
• Category: Renewable & Alternative Energy
• Molecular Weight: 210.14
• Molecular Formula: C9H6O6
• Description: Trimesic acid (TMA), also known as 1,3,5-benzenetricarboxylic acid, has a self-organized 2D molecular network structure formed by intermolecular hydrogen bonds between the carboxylic acid residues in bulk crystals. TMA can be used in the synthesis of metal-organic frameworks (MOFs), which can be used as organic linkers potentially utilized in sensors.
• Synonyms: TrimesicAcid; BTC
• IUPAC Name: benzene-1,3,5-tricarboxylic acid
• Canonical SMILES: C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O
• InChI: 1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
• InChI Key: QMKYBPDZANOJGF-UHFFFAOYSA-N
• Melting Point: >300 °C (lit.)
• Flash Point: Not applicable
• Solubility: 0.13 M
• Appearance: White to Light yellow powder to crystal
• Storage: 2-8°C
• Complexity: 237
• Covalently-Bonded Unit Count: 1
• EC Number: 209-077-7
• Exact Mass: 210.016438g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 6
• H-Bond Donor: 3
• Heavy Atom Count: 15
• MDL Number: MFCD00002517
• Monoisotopic Mass: 210.016438g/mol
• NSC Number: 3998
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Rotatable Bond Count: 3
• Signal Word: Warning
• Solubility In Water: water: ~0.017 g/L at 25 °C
• UNII: OU36OO5MTN
• XLogP3: 0.5