Cas no 6628-21-3 (Propanoic acid,2,3-dichloro-, ethyl ester)

Ethyl 2,3-dichloropropanoate (C?H?Cl?O?) is a chlorinated ester derived from propanoic acid, characterized by the presence of two chlorine atoms at the 2 and 3 positions. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the production of agrochemicals and pharmaceuticals. Its reactive dichloro-substituted structure enables selective transformations, such as nucleophilic substitutions or reductions, making it valuable for constructing complex molecules. The ethyl ester group enhances solubility in organic solvents, facilitating handling in synthetic applications. Proper storage under inert conditions is recommended due to its potential sensitivity to hydrolysis. This reagent is typically employed in controlled environments to ensure optimal reactivity and yield.
Propanoic acid,2,3-dichloro-, ethyl ester structure
6628-21-3 structure
Product Name:Propanoic acid,2,3-dichloro-, ethyl ester
CAS No:6628-21-3
MF:C5H8Cl2O2
MW:171.021820068359
MDL:MFCD00018932
CID:506300
PubChem ID:24879477
Update Time:2025-05-26

Propanoic acid,2,3-dichloro-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2,3-dichloro-, ethyl ester
    • ethyl 2,3-dichloropropanoate
    • Ethyl 2,3-dichloropropionate
    • ETHYL-2,3-DICHLOROPROPIONATE
    • 2,3-dichloro-propanoic acid,ethyl ester
    • 2,3-dichloro-propionic acid ethyl ester
    • 2,3-Dichlorpropionsaeure-aethylester
    • 2,3-Dichloropropionic acid ethyl ester
    • Propanoic acid, 2,3-dichloro-, ethyl ester
    • CS-0204507
    • Ethyl 2,3-dichloropropionate, 97%
    • MFCD00018932
    • DTXSID50871166
    • SCHEMBL7662336
    • RNZPQAZETZXKCQ-UHFFFAOYSA-N
    • Propanoic acid,3-dichloro-, ethyl ester
    • Propionic acid, 2,3-dichloro-, ethyl ester
    • 6628-21-3
    • NS00047204
    • NSC 60553
    • NSC-60553
    • Ethyl alpha,beta-dichloropropionate
    • Ethyl 2,3-dichloro propionate
    • AKOS015915784
    • EINECS 229-607-0
    • FS-4593
    • Ethyl .alpha.,.beta.-dichloropropionate
    • Propionic acid,3-dichloro-, ethyl ester
    • NSC60553
    • Ethyl 2,3-dichloropropanoate #
    • FT-0636206
    • DB-054904
    • G85018
    • MDL: MFCD00018932
    • Inchi: 1S/C5H8Cl2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3
    • InChI Key: RNZPQAZETZXKCQ-UHFFFAOYSA-N
    • SMILES: ClC(C(=O)OCC)CCl

Computed Properties

  • Exact Mass: 169.99000
  • Monoisotopic Mass: 169.9901349g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 95
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.7
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.241?g/mL?at 25?°C(lit.)
  • Boiling Point: 164-165?°C(lit.)
  • Flash Point: 183?°F
  • Refractive Index: n20/D 1.4480(lit.)
  • PSA: 26.30000
  • LogP: 1.39570
  • Solubility: Not determined

Propanoic acid,2,3-dichloro-, ethyl ester Security Information

  • Symbol: GHS05
  • Signal Word:Danger
  • Hazard Statement: H314
  • Warning Statement: P280-P305+P351+P338-P310
  • Hazardous Material transportation number:UN 3265 8/PG 2
  • WGK Germany:3
  • Hazard Category Code: 34
  • Safety Instruction: S26; S36/37/39; S45
  • Hazardous Material Identification: C
  • Risk Phrases:R34

Propanoic acid,2,3-dichloro-, ethyl ester 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%

Propanoic acid,2,3-dichloro-, ethyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
555568-25G
Propanoic acid,2,3-dichloro-, ethyl ester
6628-21-3
25g
¥854.47 2023-12-04
abcr
AB509957-1 g
Ethyl 2,3-dichloro propionate; .
6628-21-3
1g
€85.90 2023-04-18
City Chemical
E493-100GM
Ethyl-2,3-dichloropropionate
6628-21-3 97%
100gm
$115.67 2023-09-19
eNovation Chemicals LLC
Y1263005-1g
Ethyl 2,3-dichloropropionate
6628-21-3 97%
1g
$145 2024-06-07
eNovation Chemicals LLC
Y1263005-5g
Ethyl 2,3-dichloropropionate
6628-21-3 97%
5g
$195 2024-06-07
eNovation Chemicals LLC
Y1263005-25g
Ethyl 2,3-dichloropropionate
6628-21-3 97%
25g
$545 2024-06-07
SHENG KE LU SI SHENG WU JI SHU
sc-234951-25 g
Ethyl 2,3-dichloropropionate,
6628-21-3
25g
¥549.00 2023-07-11
abcr
AB509957-1g
Ethyl 2,3-dichloro propionate; .
6628-21-3
1g
€85.90 2025-02-15
SHENG KE LU SI SHENG WU JI SHU
sc-234951-25g
Ethyl 2,3-dichloropropionate,
6628-21-3
25g
¥549.00 2023-09-05
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1275177-5g
Ethyl-2,3-dichloropropionate
6628-21-3 98%
5g
¥842.00 2024-05-04

Additional information on Propanoic acid,2,3-dichloro-, ethyl ester

Propanoic acid,2,3-dichloro-, ethyl ester (CAS No. 6628-21-3): A Comprehensive Overview

Propanoic acid,2,3-dichloro-, ethyl ester, identified by its chemical abstracts service number CAS No. 6628-21-3, is a significant compound in the realm of organic chemistry and pharmaceutical research. This ester derivative of propanoic acid features two chlorine substituents at the 2nd and 3rd carbon positions, making it a versatile intermediate in synthetic chemistry. Its unique structural properties have garnered attention for potential applications in various scientific domains, particularly in the development of novel bioactive molecules.

The molecular structure of Propanoic acid,2,3-dichloro-, ethyl ester consists of a three-carbon chain with chloro groups at specific positions, which imparts distinct reactivity and functionality. This compound is particularly interesting due to its ability to serve as a building block in the synthesis of more complex molecules. The presence of both electron-withdrawing and electron-donating groups allows for diverse chemical transformations, making it a valuable asset in laboratory settings.

In recent years, there has been growing interest in the applications of Propanoic acid,2,3-dichloro-, ethyl ester in pharmaceutical research. Its structural motif is reminiscent of several bioactive compounds that have shown promise in preclinical studies. For instance, derivatives of this compound have been explored as potential inhibitors of various enzymatic pathways implicated in diseases such as cancer and inflammation. The dichloro substitution pattern enhances the lipophilicity of the molecule, facilitating its interaction with biological targets.

One of the most compelling aspects of Propanoic acid,2,3-dichloro-, ethyl ester is its role as a precursor in the synthesis of more complex pharmacophores. Researchers have leveraged its reactivity to develop novel analogs with enhanced pharmacological properties. For example, modifications at the ester group or the chlorine atoms have led to compounds with improved solubility and bioavailability. These advancements underscore the importance of this intermediate in drug discovery pipelines.

The synthesis of Propanoic acid,2,3-dichloro-, ethyl ester typically involves multi-step organic reactions, often starting from readily available propanoic acid derivatives. The introduction of chlorine atoms at the 2nd and 3rd positions requires careful control of reaction conditions to ensure high yield and purity. Advances in catalytic methods have made these transformations more efficient and environmentally friendly, aligning with modern green chemistry principles.

Recent studies have also highlighted the potential applications of Propanoic acid,2,3-dichloro-, ethyl ester in materials science. Its ability to form stable complexes with metal ions has led to investigations into its use as a ligand in coordination chemistry. These complexes exhibit interesting catalytic properties and have been explored for their potential use in industrial processes.

The pharmaceutical industry continues to explore new ways to utilize Propanoic acid,2,3-dichloro-, ethyl ester due to its versatility and synthetic utility. Ongoing research aims to uncover additional biological activities and optimize synthetic routes for large-scale production. Collaborative efforts between academic institutions and pharmaceutical companies are driving innovation in this field.

The safety profile of Propanoic acid,2,3-dichloro-, ethyl ester is another critical consideration. While it is not classified as a hazardous material under standard regulations, proper handling procedures must be followed to ensure safe laboratory practices. Researchers should adhere to established protocols for storage, handling, and disposal to minimize risks associated with chemical exposure.

In conclusion,Propanoic acid,2,3-dichloro-, ethyl ester (CAS No. 6628-21-3) is a multifaceted compound with significant applications in pharmaceutical research and materials science. Its unique structural features make it a valuable intermediate for synthesizing bioactive molecules and functional materials. As research continues to uncover new possibilities for this compound,Propanoic acid,2,3-dichloro-, ethyl ester is poised to play an increasingly important role in scientific advancements.

Recommended suppliers
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
NewCan Biotech Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk