2-Hydroxyterephthalic Acid

• Catalog Number: ACM636942-2
• Product Name: 2-Hydroxyterephthalic Acid
• CAS: 636-94-2
• Category: Renewable & Alternative Energy
• Synonyms: H2BDC-OH
• IUPAC Name: 2-hydroxyterephthalic acid
• Molecular Weight: 182.13
• Molecular Formula: C8H6O5
• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)O)C(=O)O
• InChI: 1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
• InChI Key: CDOWNLMZVKJRSC-UHFFFAOYSA-N
• Boiling Point: 436.93 °C at 760 mmHg (Predicted)
• Melting Point: 312-317 °C
• Appearance: Crystalline
• Storage: Store under inert gas, 2-8℃
• Complexity: 225
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 1
• Exact Mass: 182.021523g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 5
• H-Bond Donor: 3
• Heavy Atom Count: 13
• MDL Number: MFCD09835368
• Monoisotopic Mass: 182.021523g/mol
• NSC Number: 109098
• Physical State: Off-white 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.
• Refractive Index: 1.67 (Predicted)
• Rotatable Bond Count: 2
• Signal Word: Warning
• XLogP3: 1.5

Custom Q&A

What is the molecular formula of 2-Hydroxyterephthalic acid?

The molecular formula of 2-Hydroxyterephthalic acid is C8H6O5.

What is the molecular weight of 2-Hydroxyterephthalic acid?

The molecular weight of 2-Hydroxyterephthalic acid is 182.13 g/mol.

What is the IUPAC name of 2-Hydroxyterephthalic acid?

The IUPAC name of 2-Hydroxyterephthalic acid is 2-hydroxyterephthalic acid.

What is the InChI of 2-Hydroxyterephthalic acid?

The InChI of 2-Hydroxyterephthalic acid is InChI=1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13).

What is the InChIKey of 2-Hydroxyterephthalic acid?

The InChIKey of 2-Hydroxyterephthalic acid is CDOWNLMZVKJRSC-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Hydroxyterephthalic acid?

The canonical SMILES of 2-Hydroxyterephthalic acid is C1=CC(=C(C=C1C(=O)O)O)C(=O)O.

What is the CAS number of 2-Hydroxyterephthalic acid?

The CAS number of 2-Hydroxyterephthalic acid is 636-94-2.

What is the EC number of 2-Hydroxyterephthalic acid?

The EC number of 2-Hydroxyterephthalic acid is 692-426-4.

What is the Lot Number of 2-Hydroxyterephthalic acid?

The reference does not provide information on the Lot Number of 2-Hydroxyterephthalic acid.

What is the hydrogen bond donor count of 2-Hydroxyterephthalic acid?

The hydrogen bond donor count of 2-Hydroxyterephthalic acid is 3.