Cas no 19358-42-0 (2-methylphenyl chloroformate)

2-Methylphenyl chloroformate is a reactive organic compound primarily used as an intermediate in chemical synthesis, particularly in the preparation of carbamates and carbonates. Its key advantage lies in its high reactivity as an acylating agent, enabling efficient derivatization of amines, alcohols, and other nucleophiles. The presence of the methyl group on the phenyl ring enhances its stability while maintaining reactivity, making it suitable for controlled reactions. It is commonly employed in pharmaceutical and agrochemical applications for constructing complex molecular frameworks. Proper handling is essential due to its moisture sensitivity and potential lachrymatory effects. Storage under inert conditions is recommended to preserve its integrity.
2-methylphenyl chloroformate structure
2-methylphenyl chloroformate structure
Product Name:2-methylphenyl chloroformate
CAS No:19358-42-0
MF:C8H7ClO2
MW:170.59298157692
MDL:MFCD21608321
CID:180214
PubChem ID:88023
Update Time:2025-05-21

2-methylphenyl chloroformate Chemical and Physical Properties

Names and Identifiers

    • Carbonochloridic acid,2-methylphenyl ester
    • (2-methylphenyl) carbonochloridate
    • 1-chlorocarbonyloxy-2-methyl-benzene
    • 2-methylphenyl carbonochloridate
    • 2-methylphenyl chloroformate
    • carbonochloridic acid o-tolyl ester
    • chlorocarbonic acid o-tolyl ester
    • chloroformic-o-tolyl ester
    • o-tolyl carbonochloridate
    • Einecs 242-993-5
    • o-tolyl chloroformate
    • Chloridocarbonic acid 2-methylphenyl ester
    • 19358-42-0
    • AKOS019064109
    • 7D5EG78Y95
    • FYFLCWYDZJJMDE-UHFFFAOYSA-N
    • Chloroformic acid o-tolyl ester
    • NS00026308
    • MFCD21608321
    • SCHEMBL965339
    • Carbonochloridic acid, 2-methylphenyl ester
    • DTXSID30172966
    • EN300-279590
    • SY296811
    • MDL: MFCD21608321
    • Inchi: 1S/C8H7ClO2/c1-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3
    • InChI Key: FYFLCWYDZJJMDE-UHFFFAOYSA-N
    • SMILES: ClC(=O)OC1C=CC=CC=1C

Computed Properties

  • Exact Mass: 170.01300
  • Monoisotopic Mass: 170.013
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 147
  • 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: 2.7
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Density: 1.234
  • Boiling Point: 210.9°Cat760mmHg
  • Flash Point: 89.4°C
  • Refractive Index: 1.529
  • PSA: 26.30000
  • LogP: 2.73260

2-methylphenyl chloroformate Customs Data

  • HS CODE:2915900090
  • Customs Data:

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

2-methylphenyl chloroformate Pricemore >>

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Additional information on 2-methylphenyl chloroformate

2-Methylphenyl Chloroformate: A Comprehensive Overview

2-Methylphenyl chloroformate, also known by its CAS number 19358-42-0, is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, materials science, and pharmaceutical research. This compound, characterized by its unique structure and reactivity, plays a pivotal role in various chemical transformations and has been the subject of extensive research in recent years.

The molecular structure of 2-methylphenyl chloroformate consists of a phenyl ring substituted with a methyl group at the ortho position, attached to a chloroformate group (-COCl). This combination imparts the compound with distinctive chemical properties, making it highly reactive and suitable for a wide range of applications. The chloroformate group is particularly valuable in organic synthesis due to its ability to act as an electrophilic agent, facilitating nucleophilic substitutions and acylation reactions.

Recent studies have highlighted the potential of 2-methylphenyl chloroformate in the development of advanced materials. For instance, researchers have explored its use as a precursor for synthesizing polyurethanes and other polymers with enhanced mechanical and thermal properties. The compound's ability to undergo controlled polymerization reactions has opened new avenues for the creation of high-performance materials suitable for aerospace, automotive, and electronic industries.

In the pharmaceutical sector, 2-methylphenyl chloroformate has been employed as an intermediate in the synthesis of bioactive compounds. Its reactivity allows for the formation of complex molecular architectures, which are essential in drug design. Recent findings suggest that derivatives of this compound exhibit promising anti-inflammatory and anticancer properties, making it a valuable tool in medicinal chemistry.

The synthesis of 2-methylphenyl chloroformate typically involves the reaction of 2-methylphenol with phosgene or thionyl chloride in the presence of a base. This process is highly efficient and can be scaled up for industrial production. The compound is stable under normal storage conditions but requires careful handling due to its reactivity with moisture and nucleophiles.

In terms of environmental impact, studies have shown that 2-methylphenyl chloroformate degrades relatively quickly under aerobic conditions, reducing its persistence in the environment. However, its production and use should still adhere to standard safety protocols to minimize any potential risks associated with handling reactive chemicals.

The increasing demand for sustainable chemical processes has led researchers to investigate greener synthesis methods for 2-methylphenyl chloroformate. Recent advancements include the use of catalytic systems that reduce waste generation and energy consumption during production. These innovations align with global efforts to promote environmentally friendly chemical manufacturing practices.

In conclusion, 2-methylphenyl chloroformate, CAS No. 19358-42-0, is a multifaceted compound with applications spanning various industries. Its unique chemical properties, coupled with ongoing research into its synthesis and applications, ensure that it remains a key player in modern chemistry. As scientific understanding continues to evolve, this compound is poised to contribute even more significantly to technological advancements and sustainable development.

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