Cas no 13269-97-1 (2-chloro-N-(prop-2-en-1-yl)acetamide)

2-Chloro-N-(prop-2-en-1-yl)acetamide is a versatile organic compound featuring a reactive chloroacetamide group and an allylic moiety. Its molecular structure, combining electrophilic and nucleophilic reactivity, makes it a valuable intermediate in organic synthesis, particularly in the preparation of agrochemicals, pharmaceuticals, and specialty polymers. The chloroacetamide group enables nucleophilic substitution reactions, while the allyl group offers opportunities for further functionalization via radical or transition-metal-catalyzed processes. This compound is particularly useful in heterocyclic chemistry and cross-coupling reactions. Its stability under standard storage conditions and well-documented reactivity profile ensure consistent performance in synthetic applications. Proper handling is advised due to its potential lachrymatory and irritant properties.
2-chloro-N-(prop-2-en-1-yl)acetamide structure
13269-97-1 structure
Product Name:2-chloro-N-(prop-2-en-1-yl)acetamide
CAS No:13269-97-1
MF:C5H8ClNO
MW:133.576120376587
MDL:MFCD00084928
CID:199256
PubChem ID:98788
Update Time:2025-11-02

2-chloro-N-(prop-2-en-1-yl)acetamide Chemical and Physical Properties

Names and Identifiers

    • N-Allyl-2-chloroacetamide
    • 2-chloro-N-prop-2-enylacetamide
    • Acetamide,2-chloro-N-2-propen-1-yl-
    • N-(Chloroacetyl)allylaMine
    • N1-Allyl-2-chloroacetamide
    • N-Allyl-2-chloro-acetamide
    • 2-chloro-N-(prop-2-en-1-yl)acetamide
    • Chloracetylallylamin
    • Chlor-essigsaeure-allylamid
    • chloro-acetic acid allylamide
    • F2190-0238
    • N-allyl-chloroacetamide
    • N-(Chloroacetyl)allylamine, 2-Chloro-N-(prop-2-en-1-yl)acetamide
    • MFCD00084928
    • SCHEMBL5497997
    • Z56899047
    • J-523388
    • Acetamide, 2-chloro-N-2-propenyl-
    • DTXSID90157719
    • AKOS000104254
    • CS-0309272
    • FT-0602619
    • Acetamide, 2-chloro-N-2-propen-1-yl-
    • 2-Chloro-N-2-propenylacetamide
    • CHEMBL2251311
    • NSC165656
    • CS-10212
    • NSC 165656
    • 13269-97-1
    • NSC-165656
    • EN300-17184
    • N-Allyl-2-chloroacetamide98%
    • N-Allyl-2-chloroacetamide 98%
    • N-(Chloroacetyl)allylamine98%
    • N-(Chloroacetyl)allylamine 98%
    • STK397252
    • DB-042128
    • MDL: MFCD00084928
    • Inchi: 1S/C5H8ClNO/c1-2-3-7-5(8)4-6/h2H,1,3-4H2,(H,7,8)
    • InChI Key: AZOOMRDAGOXGNJ-UHFFFAOYSA-N
    • SMILES: ClCC(NCC=C)=O

Computed Properties

  • Exact Mass: 133.02900
  • Monoisotopic Mass: 133.0294416g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 4
  • Complexity: 92.4
  • 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: 0.8
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • Boiling Point: 71 °C
  • PSA: 29.10000
  • LogP: 0.91830

2-chloro-N-(prop-2-en-1-yl)acetamide Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-chloro-N-(prop-2-en-1-yl)acetamide Customs Data

  • HS CODE:2924199090
  • Customs Data:

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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2-chloro-N-(prop-2-en-1-yl)acetamide Related Literature

Additional information on 2-chloro-N-(prop-2-en-1-yl)acetamide

Exploring the Properties and Applications of 2-chloro-N-(prop-2-en-1-yl)acetamide (CAS No. 13269-97-1)

2-chloro-N-(prop-2-en-1-yl)acetamide (CAS No. 13269-97-1) is a specialized organic compound that has garnered attention in various industrial and research applications. This chemical, often referred to as 2-chloro-N-allylacetamide, belongs to the class of chloroacetamides, which are known for their versatile reactivity and utility in synthetic chemistry. The compound features a chloroacetyl group attached to an allylamine moiety, making it a valuable intermediate in the synthesis of more complex molecules.

One of the most notable characteristics of 2-chloro-N-(prop-2-en-1-yl)acetamide is its molecular structure, which includes a reactive chloroacetamide group and an allyl side chain. This combination allows the compound to participate in a variety of chemical reactions, including nucleophilic substitutions and polymerizations. Researchers have explored its potential in creating functional polymers and cross-linking agents, which are critical in materials science and coatings industries.

In recent years, the demand for 2-chloro-N-(prop-2-en-1-yl)acetamide has increased due to its role in the development of advanced agrochemicals and pharmaceutical intermediates. For instance, its derivatives have been investigated for their potential use in crop protection formulations, aligning with the growing global focus on sustainable agriculture. Additionally, the compound's reactivity makes it a candidate for designing novel bioactive molecules, which is a hot topic in drug discovery research.

From a market perspective, CAS No. 13269-97-1 is often discussed in the context of specialty chemicals and fine chemical synthesis. Companies specializing in custom synthesis and contract manufacturing frequently list this compound in their portfolios, catering to industries such as pharmaceuticals, agriculture, and materials science. The rise of green chemistry initiatives has also spurred interest in optimizing the synthesis of 2-chloro-N-(prop-2-en-1-yl)acetamide to minimize environmental impact.

Safety and handling of 2-chloro-N-(prop-2-en-1-yl)acetamide are essential considerations for laboratory and industrial users. While not classified as a highly hazardous substance, standard precautions for handling chlorinated compounds should be followed, including the use of personal protective equipment (PPE) and proper ventilation. Regulatory compliance, particularly in regions with stringent chemical safety laws, is another critical aspect for businesses dealing with this compound.

Looking ahead, the applications of 2-chloro-N-(prop-2-en-1-yl)acetamide are expected to expand, particularly in emerging fields such as bioconjugation chemistry and smart materials. Its unique structural features make it a promising candidate for innovations in drug delivery systems and functional coatings. As research continues, the compound's role in addressing challenges like sustainable crop yields and targeted therapeutics will likely become more prominent.

For researchers and industry professionals seeking detailed technical data on CAS No. 13269-97-1, resources such as chemical databases and supplier catalogs provide valuable information on its physical properties, spectroscopic data, and commercial availability. Collaboration between academia and industry will be key to unlocking the full potential of this versatile compound in the years to come.

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