Cas no 49763-65-7 (4-Pentylbenzoyl chloride)

4-Pentylbenzoyl chloride is a specialized organic compound featuring a benzoyl chloride functional group substituted with a pentyl chain at the para position. This structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of liquid crystals, pharmaceuticals, and fine chemicals. Its reactive acyl chloride group enables efficient acylation reactions, offering high selectivity and yield in the formation of esters, amides, and ketones. The pentyl side chain enhances solubility in nonpolar solvents, facilitating its use in diverse reaction conditions. The compound is characterized by its stability under controlled conditions, ensuring consistent performance in synthetic applications. Proper handling is required due to its moisture sensitivity.
4-Pentylbenzoyl chloride structure
4-Pentylbenzoyl chloride structure
Product Name:4-Pentylbenzoyl chloride
CAS No:49763-65-7
MF:C12H15ClO
MW:210.699902772903
MDL:MFCD00000700
CID:89560
PubChem ID:24853316
Update Time:2025-11-06

4-Pentylbenzoyl chloride Chemical and Physical Properties

Names and Identifiers

    • 4-Pentylbenzoyl chloride
    • 4-n-Amylbenzoyl chloride
    • Benzoyl chloride, 4-pentyl-
    • 4-n-Pentylbenzoyl chloride
    • p-Pentylbenzoyl Chloride
    • 4-(n-pentyl)-benzoic acid chloride
    • 4-Pentylbenzoesaeurechlorid
    • 4-pentyl-benzoic acid chloride
    • 4-PentYl-Benzoyl Chloride
    • Benzoyl chloride,4-pentyl
    • p-(n-Amyl)benzoyl chloride
    • p-n-pentylbenzoyl chloride
    • 4-PENTYLBENZOYLCHLORIDE
    • 4-(n-pentyl)-benzoyl chloride
    • 4K9R3634UY
    • 4-(n-pentyl) benzoic acid chloride
    • 4-pentylbenzoyl chloride (en)
    • DTXSID5068520
    • STR01793
    • AKOS002685613
    • EINECS 256-478-8
    • 49763-65-7
    • p-n-pentylbenzoic acid chloride
    • FT-0619159
    • ZBA76365
    • 4-Pentylbenzoyl chloride, 96%
    • SCHEMBL158152
    • 4-(n-pentyl)benzoyl chloride
    • NS00031964
    • A827844
    • FT-0619360
    • MFCD00000700
    • DB-051689
    • G77198
    • DTXCID7040736
    • MDL: MFCD00000700
    • Inchi: 1S/C12H15ClO/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3
    • InChI Key: FBBRKYLXMNQFQU-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC(=CC=1)CCCCC)=O
    • BRN: 2207887

Computed Properties

  • Exact Mass: 210.08100
  • Monoisotopic Mass: 210.081
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 171
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.036?g/mL?at 25?°C(lit.)
  • Boiling Point: 144-145°C 10mm
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: n20/D 1.53(lit.)
  • Water Partition Coefficient: Reacts with water.
  • PSA: 17.07000
  • LogP: 3.79830
  • Sensitiveness: Moisture Sensitive
  • Solubility: React with water

4-Pentylbenzoyl chloride Security Information

  • Symbol: GHS05
  • Signal Word:Danger
  • Hazard Statement: H314
  • Warning Statement: P280-P305+P351+P338-P310
  • Hazardous Material transportation number:UN 3265 8/PG 2
  • WGK Germany:3
  • Hazard Category Code: 34
  • Safety Instruction: S26-S36/37/39-S45
  • Hazardous Material Identification: C
  • HazardClass:8
  • PackingGroup:II
  • TSCA:Yes
  • Risk Phrases:R34
  • Packing Group:II
  • Safety Term:8
  • Packing Group:II
  • Hazard Level:8

4-Pentylbenzoyl chloride Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-Pentylbenzoyl chloride Pricemore >>

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4-Pentylbenzoyl chloride Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:49763-65-7)4-Pentylbenzoyl chloride
Order Number:A827844
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:11
Price ($):564.0
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:49763-65-7)4-PENTYLBENZOYL CHLORIDE
Order Number:sfd7010
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally

4-Pentylbenzoyl chloride Related Literature

Additional information on 4-Pentylbenzoyl chloride

4-Pentylbenzoyl Chloride: A Comprehensive Overview

4-Pentylbenzoyl chloride (CAS No. 49763-65-7) is a versatile organic compound with significant applications in various fields of chemistry, particularly in the synthesis of advanced materials and pharmaceuticals. This compound, also referred to as N-(4-pentylphenyl)carbonyl chloride, is a derivative of benzoyl chloride, where the benzene ring is substituted with a pentyl group at the para position. The structure of 4-pentylbenzoyl chloride consists of a benzene ring attached to a carbonyl group (C=O), which is further connected to a chlorine atom, forming the acyl chloride functional group. The pentyl group (CH2CH2CH2CH2CH3) at the para position introduces unique electronic and steric properties to the molecule, making it highly valuable in chemical synthesis.

Recent advancements in organic chemistry have highlighted the importance of 4-pentylbenzoyl chloride in the development of novel materials, such as polyamides and polyurethanes. The reactivity of the acyl chloride group allows for efficient coupling reactions with amines, alcohols, and other nucleophiles, enabling the construction of complex molecular architectures. For instance, researchers have utilized 4-pentylbenzoyl chloride in the synthesis of biodegradable polymers for biomedical applications, where its hydrophobic nature contributes to enhanced mechanical properties and controlled drug release mechanisms.

In addition to its role in polymer chemistry, 4-pentylbenzoyl chloride has gained attention in the field of medicinal chemistry. The compound serves as an intermediate in the synthesis of bioactive molecules, including antibiotics and antiviral agents. Its ability to undergo nucleophilic acyl substitution reactions facilitates the incorporation of diverse functional groups into drug candidates, thereby expanding their therapeutic potential. Recent studies have demonstrated that derivatives of 4-pentylbenzoyl chloride exhibit promising antitumor activity by targeting specific signaling pathways involved in cancer progression.

The synthesis of 4-pentylbenzoyl chloride typically involves Friedel-Crafts acylation or other electrophilic aromatic substitution methods. These reactions require precise control over reaction conditions to ensure high yields and product purity. The use of Lewis acids, such as aluminum trichloride (AlCl3), is often employed to catalyze the formation of the acylium ion intermediate, which reacts with the aromatic ring to form the substituted benzoyl chloride derivative.

From an environmental standpoint, understanding the degradation pathways and ecological impact of 4-pentylbenzoyl chloride is crucial for its sustainable use. Research indicates that this compound undergoes hydrolysis under alkaline conditions to form 4-pentylbenzoic acid and hydrochloric acid. This transformation highlights its potential as a biodegradable precursor in green chemistry applications.

In conclusion, 4-pentylbenzoyl chloride stands out as a key intermediate in modern organic synthesis due to its unique chemical properties and versatility in forming complex molecular structures. Its applications span across polymer chemistry, medicinal chemistry, and materials science, making it an indispensable tool for researchers and industry professionals alike.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:49763-65-7)4-Pentylbenzoyl chloride
A827844
Purity:99%
Quantity:25g
Price ($):564.0
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:49763-65-7)4-PENTYLBENZOYL CHLORIDE
sfd7010
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email