4-Ethylbenzoyl Chloride

• CAS: 16331-45-6
• Catalog Number: ACM16331456
• Category: Other Products
• Molecular Weight: 168.62
• Molecular Formula: C9H9ClO
• Synonyms: 4-Ethylbenzoyl chloride, Benzoyl chloride, 4-ethyl-, 283509_ALDRICH, ZINC02140817, CID85368, EINECS 240-404-6, SBB006540, 16331-45-6, InChI=1/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H
• IUPAC Name: 4-ethylbenzoyl chloride
• Canonical SMILES: CCC1=CC=C(C=C1)C(=O)Cl
• InChI Key: AVTLLLZVYYPGFX-UHFFFAOYSA-N
• Boiling Point: 235-236ºC
• Melting Point: 42 - 43ºC
• Flash Point: 99.6ºC
• Density: 1.14
• Appearance: Colourless or pale yellow liquid
• EC Number: 240-404-6
• Exact Mass: 168.03400
• Hazard Statements: C:Corrosive
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Packing Group: II
• Safety Description: S25-S36/37/39-S45
• Stability: Stable at room temperature in closed containers under normal storage and handling conditions.
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 619-64-7

• 16331-45-6

Reference: [1]Patent: US2002/52326,2002,A1

Downstream Synthesis Route 1

• 67-56-1
• 16331-45-6

• 7364-20-7

Reference: [1]Canadian Journal of Chemistry,1986,vol. 64,p. 769 - 772

Downstream Synthesis Route 2

• 617-65-2
• 16331-45-6

• 104252-81-5

Reference: [1]Makovec; Chiste; Bani; et al.
[European Journal of Medicinal Chemistry, 1986, vol. 21, # 1, p. 9 - 20]

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