Cas no 31076-84-3 (p-Acetylbenzoyl Chloride)
p-Acetylbenzoyl Chloride Chemical and Physical Properties
Names and Identifiers
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- Benzoyl chloride, 4-acetyl-
- 4-Acetylbenzoyl chloride
- 4-(acetyl) benzoyl chloride
- 4-acetylbenzoic acid chloride
- 4-acetyl-benzoyl chloride
- 4-Acetyl-benzoylchlorid
- AG-F-03092
- AGN-PC-00MGKM
- CTK1C0026
- p-acetylbenzoyl chloride
- Benzoyl chloride,4-acetyl-(9ci)
- AS-80857
- UZPDKLGPANSZTM-UHFFFAOYSA-N
- MFCD11617040
- 31076-84-3
- AKOS006318201
- DTXSID30539873
- SCHEMBL537782
- 4-Acetylbenzoyl
- G72423
- Benzoyl chloride, 4-acetyl- (9CI)
- DB-286034
- p-Acetylbenzoyl Chloride
-
- MDL: MFCD11617040
- Inchi: 1S/C9H7ClO2/c1-6(11)7-2-4-8(5-3-7)9(10)12/h2-5H,1H3
- InChI Key: UZPDKLGPANSZTM-UHFFFAOYSA-N
- SMILES: ClC(C1C=CC(C(C)=O)=CC=1)=O
Computed Properties
- Exact Mass: 182.01351
- Monoisotopic Mass: 182.0134572g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 193
- 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
- XLogP3: 2.6
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
p-Acetylbenzoyl Chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A301460-1g |
p-Acetylbenzoyl Chloride |
31076-84-3 | 95% | 1g |
¥200.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A301460-25g |
p-Acetylbenzoyl Chloride |
31076-84-3 | 95% | 25g |
¥3089.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A301460-5g |
p-Acetylbenzoyl Chloride |
31076-84-3 | 95% | 5g |
¥888.90 | 2023-09-04 | |
| TRC | A843075-250mg |
p-Acetylbenzoyl Chloride |
31076-84-3 | 250mg |
$ 207.00 | 2023-04-19 | ||
| TRC | A843075-500mg |
p-Acetylbenzoyl Chloride |
31076-84-3 | 500mg |
$ 391.00 | 2023-04-19 | ||
| TRC | A843075-1g |
p-Acetylbenzoyl Chloride |
31076-84-3 | 1g |
$ 620.00 | 2022-06-07 | ||
| TRC | A843075-2.5g |
p-Acetylbenzoyl Chloride |
31076-84-3 | 2.5g |
$ 1596.00 | 2023-04-19 | ||
| eNovation Chemicals LLC | Y1241464-25g |
Benzoyl chloride, 4-acetyl- |
31076-84-3 | 95% | 25g |
$420 | 2024-06-07 | |
| TRC | A843075-1000mg |
p-Acetylbenzoyl Chloride |
31076-84-3 | 1g |
$ 752.00 | 2023-04-19 | ||
| abcr | AB589560-250mg |
4-Acetylbenzoyl chloride; . |
31076-84-3 | 250mg |
€127.90 | 2024-07-20 |
p-Acetylbenzoyl Chloride Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
Additional information on p-Acetylbenzoyl Chloride
Comprehensive Guide to p-Acetylbenzoyl Chloride (CAS No. 31076-84-3): Properties, Applications, and Industry Insights
p-Acetylbenzoyl Chloride (CAS No. 31076-84-3) is a highly versatile organic compound widely used in pharmaceutical, agrochemical, and specialty chemical synthesis. This aromatic acyl chloride derivative, also known as 4-Acetylbenzoyl Chloride, plays a critical role as an intermediate in the production of advanced materials and active ingredients. Its molecular structure combines a reactive benzoyl chloride group with an acetyl substituent, enabling unique reactivity patterns that make it valuable for Friedel-Crafts acylation and other key transformations.
In recent years, the demand for p-Acetylbenzoyl Chloride has surged due to its applications in photoinitiators for UV-curable coatings and pharmaceutical intermediates. Industry reports highlight its growing use in the synthesis of non-steroidal anti-inflammatory drugs (NSAIDs) and liquid crystal materials. Researchers are particularly interested in its role as a precursor for high-performance polymers, aligning with the global shift toward sustainable and functional materials. The compound's CAS registry number 31076-84-3 serves as a unique identifier in regulatory documentation and safety databases.
From a technical perspective, p-Acetylbenzoyl Chloride exhibits a melting point range of 35-38°C and requires careful handling under inert atmospheres due to its moisture sensitivity. Analytical techniques like HPLC and GC-MS are commonly employed for purity verification (>98% typical). The compound's IR spectrum shows characteristic carbonyl stretches at 1760 cm-1 (acyl chloride) and 1680 cm-1 (acetyl), while its NMR profile displays distinctive aromatic proton patterns between 7.8-8.1 ppm.
The synthesis of 4-Acetylbenzoyl Chloride typically involves the chlorination of p-acetylbenzoic acid using thionyl chloride or oxalyl chloride. Process optimization studies emphasize the importance of controlling reaction exotherms and minimizing hydrolysis byproducts. Recent patent literature describes improved catalytic methods for its production, addressing the chemical industry's focus on green chemistry principles and atom economy.
In pharmaceutical applications, CAS 31076-84-3 serves as a building block for chiral auxiliaries and biologically active molecules. Its incorporation into drug discovery pipelines has been facilitated by compatibility with modern flow chemistry techniques. The compound's reactivity allows for sequential functionalization – the acetyl group can undergo condensation reactions while the acyl chloride moiety participates in nucleophilic substitutions, enabling efficient scaffold diversification.
Material scientists value p-Acetylbenzoyl Chloride for its role in synthesizing photoactive polymers used in optical films and electronic displays. The compound's ability to form crosslinked networks upon UV exposure makes it particularly useful in 3D printing resins and adhesive formulations. Industry trends show increasing adoption in smart packaging solutions where light-initiated curing enhances production efficiency.
Quality control protocols for 31076-84-3 emphasize rigorous testing for residual solvents and acidic impurities. Advanced purification methods including short-path distillation and recrystallization from non-polar solvents yield material meeting pharmaceutical-grade specifications. Storage recommendations typically specify amber glass containers under nitrogen at 2-8°C to maintain stability.
From a commercial standpoint, p-Acetylbenzoyl Chloride is available in both laboratory-scale quantities (grams to kilograms) and bulk industrial shipments. Pricing trends reflect fluctuations in benzene derivatives markets and regional production capacities. Supply chain analyses indicate growing manufacturing hubs in Asia-Pacific regions, with stringent REACH compliance documentation required for European imports.
Emerging research explores the compound's potential in metal-organic frameworks (MOFs) synthesis and covalent organic frameworks (COFs). Its bifunctional nature allows simultaneous coordination and covalent bonding, creating porous materials with applications in gas storage and molecular separation. These developments position 4-Acetylbenzoyl Chloride as a key player in next-generation functional materials.
Environmental and handling considerations for CAS No. 31076-84-3 follow standard protocols for reactive acyl chlorides. Industrial users implement closed-system processing and scrubber systems to manage byproduct gases. Recent lifecycle assessment studies focus on optimizing the compound's synthetic routes to reduce carbon footprint while maintaining yield efficiency.
Analytical method development for p-Acetylbenzoyl Chloride continues to evolve, with UHPLC-MS techniques now enabling detection at ppm levels in complex matrices. This advancement supports quality control in GMP manufacturing environments and facilitates impurity profiling during scale-up processes. Reference standards with certified purity are commercially available to support these analyses.
The future outlook for 31076-84-3 remains positive, driven by expanding applications in electronic materials and specialty coatings. Innovation in derivative chemistry, particularly through click chemistry approaches, is expected to unlock new functionalities. Market projections suggest steady growth at 5-7% CAGR through 2030, reflecting the compound's established utility and emerging potential across multiple industries.
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