Cas no 87700-67-2 (4-Methyl-1-naphthalenecarbonyl Chloride)

4-Methyl-1-naphthalenecarbonyl chloride is a specialized organic compound primarily used as an intermediate in synthetic chemistry. Its reactive acyl chloride group enables efficient acylation reactions, making it valuable for the synthesis of pharmaceuticals, agrochemicals, and dyes. The methyl substitution at the 4-position enhances its stability and influences the electronic properties of the naphthalene ring, offering selectivity in electrophilic aromatic substitution reactions. This compound is typically handled under anhydrous conditions due to its moisture sensitivity. Its high purity and consistent reactivity make it a reliable reagent for researchers and industrial applications requiring precise functionalization of naphthalene derivatives.
4-Methyl-1-naphthalenecarbonyl Chloride structure
87700-67-2 structure
Product Name:4-Methyl-1-naphthalenecarbonyl Chloride
CAS No:87700-67-2
MF:C12H9ClO
MW:204.652262449265
CID:708908
PubChem ID:24887412
Update Time:2025-06-15

4-Methyl-1-naphthalenecarbonyl Chloride Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenecarbonylchloride, 4-methyl-
    • 1-Naphthalenecarbonyl chloride, 4-methyl- (9CI)
    • 4-methyl-1-naphthalenecarbonyl chloride
    • 4-Methylnaphthalene-1-carbonyl chloride
    • 4-Methyl-1-naphthoyl chloride
    • IXGMHYHWSPDNNS-UHFFFAOYSA-N
    • SCHEMBL601658
    • AKOS000114497
    • A851704
    • 4-METHYLNAPHTHALENE-1-CARBONYLCHLORIDE
    • 4-methyl-naphthalene-1-carbonyl chloride
    • MFCD12025362
    • DTXSID90647827
    • 4-Methyl-1-napthoyl chloride
    • 4-Methyl-1-naphthoyl chloride, 95%
    • 87700-67-2
    • DB-305991
    • 4-Methyl-1-naphthalenecarbonyl Chloride
    • MDL: MFCD12025362
    • Inchi: 1S/C12H9ClO/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7H,1H3
    • InChI Key: IXGMHYHWSPDNNS-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC(C)=C2C=CC=CC2=1)=O

Computed Properties

  • Exact Mass: 204.0341926g/mol
  • Monoisotopic Mass: 204.0341926g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 226
  • 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: 4
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.231
  • Melting Point: 47-48 oC
  • Boiling Point: 335 oC
  • Flash Point: 157 oC

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Additional information on 4-Methyl-1-naphthalenecarbonyl Chloride

Comprehensive Overview of 4-Methyl-1-naphthalenecarbonyl Chloride (CAS No. 87700-67-2)

4-Methyl-1-naphthalenecarbonyl Chloride (CAS No. 87700-67-2) is a specialized organic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. Its unique molecular structure, featuring a naphthalene backbone with a carbonyl chloride functional group, makes it a versatile building block for derivatives like 4-methyl-1-naphthoic acid and naphthalene-based polymers. With growing interest in sustainable chemistry, researchers are exploring its role in green synthesis methods, aligning with trends like catalysis optimization and low-waste production.

The compound’s significance extends to applications in fluorescent dyes and OLED materials, addressing demands in optoelectronics. Searches for "naphthalene derivatives for light-emitting devices" or "high-performance organic semiconductors" highlight its relevance. Its stability under controlled conditions ensures compatibility with modern microwave-assisted synthesis techniques—a hot topic in lab efficiency discussions. Analytical methods like HPLC purity testing and FTIR characterization are critical for quality control, reflecting user queries on "how to analyze carbonyl chloride compounds."

In pharmaceuticals, 4-Methyl-1-naphthalenecarbonyl Chloride serves as a precursor for anti-inflammatory agents and kinase inhibitors, resonating with searches for "drug intermediate synthesis." Regulatory compliance with REACH and GMP standards is emphasized, as industries prioritize "safe handling of reactive intermediates." The compound’s storage recommendations (dry, inert atmosphere) and compatibility with Schotten-Baumann reactions are frequently discussed in technical forums.

Environmental considerations drive innovation in its degradation pathways, with studies on biodegradable naphthalene derivatives gaining traction. Keywords like "eco-friendly aromatic chlorides" or "green chemistry alternatives" mirror this shift. Suppliers often highlight batch-to-batch consistency and scalable production, addressing manufacturer concerns about "bulk sourcing of specialty chemicals."

Emerging research explores its potential in metal-organic frameworks (MOFs) for gas storage—a trending topic in material science. Cross-disciplinary applications, such as photoinitiators in 3D printing resins, further expand its market scope. For researchers, resources on "synthetic routes for naphthalenecarbonyl chlorides" or "CAS 87700-67-2 safety data" remain pivotal, underscoring the need for detailed technical documentation.

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