2,4-Dichloro-3,5-dimethylphenol

• CAS: 133-53-9
• Catalog Number: ACM133539
• Category: Other Products
• Molecular Weight: 191.05
• Molecular Formula: C8H8Cl2O
• Synonyms: Dichloroxylenol
• IUPAC Name: 2,4-dichloro-3,5-dimethylphenol
• Canonical SMILES: CC1=CC(=C(C(=C1Cl)C)Cl)O
• InChI Key: IYOLBFFHPZOQGW-UHFFFAOYSA-N
• Boiling Point: 266.4ºC at 760 mmHg
• Melting Point: 91-96°C
• Flash Point: 114.5°C
• Density: 1.323 g/cm³
• Solubility: water, 86.84 mg/L @ 25 °C (est)
• Appearance: White to yellow crystalline powder
• Complexity: 140
• Defined Atom Stereocenter Count: 0
• EC Number: 205-109-9
• Exact Mass: 189.9952
• Formal Charge: 0
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• MDL Number: MFCD00019981
• Monoisotopic Mass: 189.9952
• Packaging: 1 kg
• Refractive Index: 1.573
• Rotatable Bond Count: 0
• Safety Description: S26-S37/39
• Storage Conditions: Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
• Topological Polar Surface Area: 20.2 Ų
• XLogP3-AA: 3.6