2,5-Dihydroxyterephthalic Acid

• CAS: 610-92-4
• Catalog Number: ACM-MO-610924
• Category: Polymer/Macromolecule; Carboxylic Acid Monomers
• Molecular Weight: 198.13 g/mol
• Molecular Formula: C8H6O6
• Description: 2,5-dihydroxyterephthalic acid (DHTA)is prepared by bromine/sulphuric acid mediated aromatization of diethyl succinoylsucinate, followed by hydrolysis.
• Synonyms: 2,5-dihydroxyterephthalic acid; 2,5-dihydroxyterephthalic acid
• IUPAC Name: 2,5-dihydroxyterephthalic acid
• Canonical SMILES: C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O
• InChI: 1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
• InChI Key: OYFRNYNHAZOYNF-UHFFFAOYSA-N
• Boiling Point: 499 °C
• Melting Point: >300 °C (lit.)
• Appearance: Light Yellow to Yellow to Green Powder to Crystal
• Storage: Store under inert gas
• Complexity: 224
• CompoundIs Canonicalized: Yes
• Condition To Avoid: Air Sensitive
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 210-239-4
• Exact Mass: 198.01643791g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 6
• H-Bond Donor: 4
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 4
• Isotope Atom Count: 0
• MDL Number: MFCD00132933
• Monoisotopic Mass: 198.01643791g/mol
• NSC Number: 407960
• Physical State: Yellow solid
• 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: 2
• Signal Word: Warning
• Specific Gravity: 1.779
• Topological Polar Surface Area: 115Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• XLogP3: 1.4

Custom Q&A

What is the molecular formula of 2,5-Dihydroxyterephthalic acid?

The molecular formula of 2,5-Dihydroxyterephthalic acid is C8H6O6.

What is the molecular weight of 2,5-Dihydroxyterephthalic acid?

The molecular weight of 2,5-Dihydroxyterephthalic acid is 198.13 g/mol.

What is the IUPAC name of 2,5-Dihydroxyterephthalic acid?

The IUPAC name of 2,5-Dihydroxyterephthalic acid is 2,5-dihydroxyterephthalic acid.

What is the InChI of 2,5-Dihydroxyterephthalic acid?

The InChI of 2,5-Dihydroxyterephthalic acid is InChI=1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14).

What is the InChIKey of 2,5-Dihydroxyterephthalic acid?

The InChIKey of 2,5-Dihydroxyterephthalic acid is OYFRNYNHAZOYNF-UHFFFAOYSA-N.

What is the Canonical SMILES of 2,5-Dihydroxyterephthalic acid?

The Canonical SMILES of 2,5-Dihydroxyterephthalic acid is C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O.

What is the CAS number of 2,5-Dihydroxyterephthalic acid?

The CAS number of 2,5-Dihydroxyterephthalic acid is 610-92-4.

What is the European Community (EC) number of 2,5-Dihydroxyterephthalic acid?

The European Community (EC) number of 2,5-Dihydroxyterephthalic acid is 210-239-4.

What is the XLogP3-AA value of 2,5-Dihydroxyterephthalic acid?

The XLogP3-AA value of 2,5-Dihydroxyterephthalic acid is 1.4.

What is the topological polar surface area of 2,5-Dihydroxyterephthalic acid?

The topological polar surface area of 2,5-Dihydroxyterephthalic acid is 115Ų.