4'-Chloroacetophenone

• CAS: 99-91-2
• Catalog Number: ACM99912
• Category: Other Products
• Molecular Weight: 154.59
• Molecular Formula: C8H7ClO
• IUPAC Name: 1-(4-chlorophenyl)ethanone
• Canonical SMILES: CC(=O)C1=CC=C(C=C1)Cl
• InChI: InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
• InChI Key: BUZYGTVTZYSBCU-UHFFFAOYSA-N
• Boiling Point: 237 °C
• Melting Point: 15 °C
• Density: 1.1922 @ 20 °C/4 °C
• Solubility: PRACTICALLY INSOL IN WATER; MISCIBLE WITH ALC, ETHER
• Appearance: White or Colorless to Light yellow powder to lump to clear liquid
• Color/Form: LIQUID
• Complexity: 125
• Covalently-Bonded Unit Count: 1
• EC Number: 202-800-7
• Exact Mass: 154.018542g/mol
• Formal Charge: 0
• Hazard Statements: H330 : Fatal if inhaled.H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 10
• LogP: 2.32 (LogP);log Kow= 2.32 (experimental)
• MDL Number: MFCD00000624
• Monoisotopic Mass: 154.018542g/mol
• NSC Number: 6115
• Other Experimental: Henry's Law constant= 9.3X10-4 atm cu-m/mole @ 25 °C (est)
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe 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/ eye protection/ face protection.P284 : Wear respiratory 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.P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.
• Refractive Index: 1.55
• Rotatable Bond Count: 1
• Signal Word: Danger
• Solubility In Water: Insoluble
• Specific Gravity: 1.19
• UNII: ZV4A71K303
• Vapor Pressure: 0.51 mm Hg @ 25 °C (est)
• XLogP3: 2.3