2-Chloro-5-methyl-1,4-benzoquinone

• CAS: 19832-87-2
• Catalog Number: ACM19832872
• Category: Other Products
• Molecular Weight: 156.57
• Molecular Formula: C7H5ClO2
• Synonyms: 2-Chloro-5-methyl-p-quinone; 5-Chlorotoluquinone
• IUPAC Name: 2-chloro-5-methylcyclohexa-2,5-diene-1,4-dione
• Canonical SMILES: CC1=CC(=O)C(=CC1=O)Cl
• InChI: InChI=1S/C7H5ClO2/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,1H3
• InChI Key: BIUBEGIHROOPTQ-UHFFFAOYSA-N
• Melting Point: 106 °C
• Appearance: Light yellow to Amber to Dark green powder to crystal
• Storage: Store under inert gas
• Complexity: 261
• Condition To Avoid: Light Sensitive
• Covalently-Bonded Unit Count: 1
• Exact Mass: 155.997807g/mol
• Formal Charge: 0
• Hazard Statements: H302 : Harmful if swallowed.H317 : May cause an allergic skin reaction.H410 : Very toxic to aquatic life with long lasting effects.
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 10
• MDL Number: MFCD00189381
• Monoisotopic Mass: 155.997807g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P273 : Avoid release to the environment.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves.P272 : Contaminated work clothing must not be allowed out of the workplace.P391 : Collect spillage.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P333 + P313 : If skin irritation or rash occurs: Get medical advice/ attention.P363 : Wash contaminated clothing 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