5-Hydroxyisophthalic acid

• Catalog Number: ACM-MO-618837
• Product Name: 5-Hydroxyisophthalic acid
• CAS: 618-83-7
• Category: Heterocyclic Organic Compound
• Synonyms: 5-Oxyisophthalic acid
• IUPAC Name: 5-hydroxybenzene-1,3-dicarboxylic acid
• Molecular Weight: 182.13 g/mol
• Molecular Formula: C8H6O5
• Canonical SMILES: C1=C(C=C(C=C1C(=O)O)O)C(=O)O
• InChI: InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
• InChI Key: QNVNLUSHGRBCLO-UHFFFAOYSA-N
• Boiling Point: 517 ±45.0 °C
• Melting Point: 298-302 °C
• Density: 1.3293 (rough estimate)
• Appearance: White to Slightly Yellow Powder
• Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
• Complexity: 203
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 1
• EC Number: 210-565-7
• 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: MFCD00002515
• Monoisotopic Mass: 182.021523g/mol
• NSC Number: 302088
• 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: 1.4330 (estimate)
• Rotatable Bond Count: 2
• Signal Word: Warning
• SpecificGravity: 1.612
• UNII: 95UD7B188K
• XLogP3: 0.7