Cas no 13916-39-7 (2-Chloro-N-propylacetamide)

2-Chloro-N-propylacetamide is a chloroacetamide derivative with the molecular formula C?H??ClNO. This compound is characterized by its reactive chloroacetyl group and propylamine moiety, making it a versatile intermediate in organic synthesis and agrochemical applications. Its structural features enable efficient nucleophilic substitution reactions, facilitating the preparation of more complex amides or heterocyclic compounds. The propyl chain enhances solubility in organic solvents, improving reaction handling. 2-Chloro-N-propylacetamide is particularly valued in the development of herbicides and pharmaceutical precursors due to its balanced reactivity and stability under controlled conditions. Proper handling is required due to its potential lachrymatory and irritant properties. Storage recommendations include cool, dry conditions in tightly sealed containers.
2-Chloro-N-propylacetamide structure
2-Chloro-N-propylacetamide structure
Product Name:2-Chloro-N-propylacetamide
CAS No:13916-39-7
MF:C5H10ClNO
MW:135.592000484467
MDL:MFCD01355490
CID:228849
PubChem ID:329819060
Update Time:2025-05-24

2-Chloro-N-propylacetamide Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-N-propylacetamide
    • Acetamide,2-chloro-N-propyl-
    • 2-chloro-N-propyl-acetamide
    • 2-chloro-N-propylacetamide(SALTDATA: FREE)
    • Acetamide,2-chloro-N-propyl
    • F2190-0237
    • N-(n-propyl)-2-chloroacetamide
    • N-propyl-2-chloroacetamide
    • N-propylchloroacetamide
    • NSC 8268
    • alpha-Chloro-N-propylacetamide
    • 2-chloro-N-propyl-ethanamide
    • AKOS BBS-00006591
    • OTAVA-BB BB7020410083
    • acetamide, 2-chloro-N-propyl-
    • 13916-39-7
    • AKOS000104267
    • NSC8268
    • SCHEMBL1586181
    • N-(propyl)chloroacetamide
    • DTXSID30278573
    • NSC-8268
    • BB 0217804
    • SHWUYQDIJUWTPM-UHFFFAOYSA-N
    • FT-0683666
    • D95642
    • MFCD01355490
    • EN300-02027
    • AS-59978
    • 2-Chloro-N-propylacetamide, AldrichCPR
    • DA-16974
    • ALBB-013141
    • STK397470
    • MDL: MFCD01355490
    • Inchi: 1S/C5H10ClNO/c1-2-3-7-5(8)4-6/h2-4H2,1H3,(H,7,8)
    • InChI Key: SHWUYQDIJUWTPM-UHFFFAOYSA-N
    • SMILES: ClCC(NCCC)=O

Computed Properties

  • Exact Mass: 135.04500
  • Monoisotopic Mass: 135.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 4
  • Complexity: 74.8
  • 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
  • Topological Polar Surface Area: 29.1A^2
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.056±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 114 oC (18 Torr)
  • Flash Point: 111.1±22.6 oC,
  • Refractive Index: 1.437
  • Solubility: Slightly soluble (22 g/l) (25 o C),
  • PSA: 29.10000
  • LogP: 1.14230
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

2-Chloro-N-propylacetamide Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P264+P280+P305+P351+P338+P337+P313
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Category Code: 22
  • Safety Instruction: H303+H313+H333
  • Hazardous Material Identification: Xn
  • HazardClass:IRRITANT
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

2-Chloro-N-propylacetamide 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%

2-Chloro-N-propylacetamide Pricemore >>

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Additional information on 2-Chloro-N-propylacetamide

2-Chloro-N-propylacetamide: A Comprehensive Overview

2-Chloro-N-propylacetamide (CAS No. 13916-39-7) is a versatile organic compound with a wide range of applications in various industries. This compound, also known as chloropropionanilide, is characterized by its molecular formula C8H11ClN and molecular weight of 154.65 g/mol. The compound is a derivative of acetamide, with a chlorine atom substituted at the second position and a propyl group attached to the nitrogen atom. Its structure makes it highly reactive and suitable for use in chemical synthesis, pharmaceuticals, and agrochemicals.

The synthesis of 2-Chloro-N-propylacetamide involves several methods, including nucleophilic substitution reactions. Recent studies have focused on optimizing the synthesis process to enhance yield and reduce environmental impact. For instance, researchers have explored the use of microwave-assisted synthesis, which significantly reduces reaction time while maintaining product quality. This approach aligns with the growing trend toward green chemistry practices in the chemical industry.

One of the most notable applications of 2-Chloro-N-propylacetamide is in the pharmaceutical sector. The compound serves as an intermediate in the synthesis of various drugs, including antifungal agents and anti-inflammatory medications. Recent research has highlighted its potential as a building block for developing novel therapeutic agents targeting specific biological pathways. For example, studies have shown that derivatives of chloropropionanilide can inhibit certain enzymes involved in inflammation, offering promising leads for drug development.

In addition to its pharmaceutical applications, 2-Chloro-N-propylacetamide finds use in agrochemicals, particularly as an intermediate in the synthesis of pesticides and herbicides. Its ability to act as a precursor for more complex molecules makes it invaluable in agricultural chemistry. Recent advancements in this field have focused on improving the bioavailability and efficacy of these compounds while minimizing their environmental footprint.

The environmental impact of chloropropionanilide has also been a subject of recent research. Studies have investigated its biodegradation pathways and toxicity profiles to ensure safe handling and disposal. Results indicate that under controlled conditions, the compound can be effectively degraded by microorganisms, reducing its persistence in the environment.

From a safety perspective, 2-Chloro-N-propylacetamide exhibits moderate toxicity when ingested or inhaled. However, proper handling procedures and personal protective equipment can mitigate these risks. Regulatory agencies have established guidelines for workplace exposure limits to ensure worker safety while manufacturing or handling this compound.

In conclusion, 2-Chloro-N-propylacetamide (CAS No. 13916-39-7) is a multifaceted compound with significant contributions to various industries. Its role as an intermediate in pharmaceuticals and agrochemicals underscores its importance in modern chemistry. Ongoing research continues to uncover new applications and optimize its production processes, ensuring its relevance in future scientific advancements.

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