4-Chlorophenylacetyl chloride

• CAS: 25026-34-0
• Catalog Number: ACM25026340
• Category: Solvents
• Molecular Weight: 189.039
• Molecular Formula: C8H6Cl2O
• Synonyms: 4-chlorophenylacetic acid chloride; parachlorophenyl acetyl chloride; Benzeneacetyl chloride, 4-chloro-; 4-Chlorobenzeneacetyl chloride
• Canonical SMILES: ClC(=O)Cc1ccc(Cl)cc1
• InChI: 1S/C8H6Cl2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2
• InChI Key: UMQUIRYNOVNYPA-UHFFFAOYSA-N
• Boiling Point: 254.7±23.0 °C at 760 mmHg
• Flash Point: 103.0±22.9 °C
• Density: 1.3±0.1 g/cm³
• Assay: 0.97
• Color: Clear yellow to brown
• EC Number: 246-571-1
• Exact Mass: 187.979568
• Form: Liquid
• Hazard Codes: C:Corrosive
• Hazard Statements: H302-H314-H317
• LogP: 2.83
• MDL Number: MFCD00037111
• NACRES: NA.22
• PSA: 17.07
• PubChem ID: 24882993
• Refractive Index: 1.552
• Vapor Pressure: 0.0±0.5 mmHg at 25°C
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 1878-66-6

• 25026-34-0

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 22, p. 6160 - 6163

Upstream Synthesis Route 2

• 1878-66-6
• 79-37-8

• 25026-34-0

Reference: [1] Patent: US4724263, 1988, A,

Upstream Synthesis Route 3

• 3282-33-5

• 25026-34-0

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 15, p. 1723 - 1727

Upstream Synthesis Route 4

• 1878-66-6

• 25026-34-0

Reference: [1]Jetter, Michele C.; Youngman, Mark A.; McNally, James J.; McDonnell, Mark E.; Zhang, Sui-Po; Dubin, Adrienne E.; Nasser, Nadia; Codd, Ellen E.; Flores, Christopher M.; Dax, Scott L.
[Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 22, p. 6160 - 6163]

Downstream Synthesis Route 1

• 25026-34-0

• 24091-92-7

Reference: [1]Journal of the Chemical Society,1950,p. 1542,1548

* For details of the synthesis route, please refer to the original source to ensure accuracy.