2,5-Dichloro-1,4-benzoquinone

• CAS: 615-93-0
• Catalog Number: ACM615930
• Category: Other Products
• Molecular Weight: 176.98
• Molecular Formula: C6H2Cl2O2
• Synonyms: 2,5-Dichloro-p-quinone
• IUPAC Name: 2,5-dichlorocyclohexa-2,5-diene-1,4-dione
• Canonical SMILES: C1=C(C(=O)C=C(C1=O)Cl)Cl
• InChI: InChI=1S/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
• InChI Key: LNXVNZRYYHFMEY-UHFFFAOYSA-N
• Melting Point: 161 °C
• Solubility: soluble in Methanol
• Appearance: Light yellow to Yellow to Orange powder to crystal
• Storage: Store under inert gas
• Complexity: 235
• Condition To Avoid: Light Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 210-453-8
• Exact Mass: 175.943185g/mol
• Formal Charge: 0
• Hazard Statements: H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 10
• MDL Number: MFCD00041736
• Monoisotopic Mass: 175.943185g/mol
• NSC Number: 6251
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.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.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
• Rotatable Bond Count: 0
• Signal Word: Warning
• XLogP3: 1.7