3,4-Ethylenedioxythiophene-2,5-dicarboxylic Acid

• CAS: 18361-03-0
• Catalog Number: ACM-MO-18361030
• Category: Thiophenes; Dicarboxylic Acid Monomers
• Molecular Weight: 230.19 g/mol
• Molecular Formula: C8H6O6S
• Synonyms: 2,3-Dihydrothieno[3,4-b]-1,4-dioxine-5,7-dicarboxylic Acid
• IUPAC Name: 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid
• Canonical SMILES: C1COC2=C(SC(=C2O1)C(=O)O)C(=O)O
• InChI: InChI=1S/C8H6O6S/c9-7(10)5-3-4(14-2-1-13-3)6(15-5)8(11)12/h1-2H2,(H,9,10)(H,11,12)
• InChI Key: NWIYUAISDYJVMZ-UHFFFAOYSA-N
• Boiling Point: 482.6±45.0 °C(Predicted)
• Melting Point: 319.5-321.2 °C
• Density: 1.732±0.06 g/cm3(Predicted)
• Appearance: White to Light Yellow Powder to Crystal
• Complexity: 265
• Covalently-Bonded Unit Count: 1
• EC Number: 605-999-2
• Exact Mass: 229.988509g/mol
• Formal Charge: 0
• Hazard Statements: H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 7
• H-Bond Donor: 2
• Heavy Atom Count: 15
• MDL Number: MFCD00966477
• Monoisotopic Mass: 229.988509g/mol
• Physical State: Solid
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ 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.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.
• Rotatable Bond Count: 2
• Signal Word: Warning
• XLogP3: 1