Vinyl Chloroacetate (stabilized with MEHQ) - ≥98% , CAS No.2549-51-1

CAS: 2549-51-1 Cat. No.: V162952 Molecular Weight: 120.53 EC Number: 219-834-3 PubChem CID: 82156

GRADE & PURITY ≥98%

Synonyms

9V67DD44DS | D95397 | LS-12978 | UN 2589 | SCHEMBL99769 | Vinyl chloroacetate [UN2589] [Poison] | Vinyl chloroacetate, >=99.0% | MFCD00045275 | AKOS006222789 | InChI=1/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2 | monochloroacetic acid vinyl ester | J-016020 | UN2

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

9V67DD44DS | D95397 | LS-12978 | UN 2589 | SCHEMBL99769 | Vinyl chloroacetate [UN2589] [Poison] | Vinyl chloroacetate, >=99.0% | MFCD00045275 | AKOS006222789 | InChI=1/C4H5ClO2/c1-2-7-4(6)3-5/h2H, 1, 3H2 | monochloroacetic acid vinyl ester | J-016020 | UN2

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C=COC(=O)CCl
• IUPAC Name: ethenyl 2-chloroacetate
• InChIKey: XJELOQYISYPGDX-UHFFFAOYSA-N
• INCHI: 1S/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2
• Isomeric SMILES: C=COC(=O)CCl
• WGK Germany: 3
• RTECS: AG2850000
• PubChem CID: 82156
• UN Number: 2589
• Packing Group: II
• Molecular Weight: 120.53
• Reaxy-Rn: 1745172

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Enol esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Enol esters
• Alternative Parents: Alpha-halocarboxylic acid derivatives Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enol ester - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as enol esters. These are ester derivatives of enols. They have the general formula RC=COC(=O)R' where R, R' = H or organyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: difficult to mix in water
• Sensitivity: light & air sensitive
• Refractive Index: 1.4430 to 1.4450
• Flash Point(°C): 51°C
• Boil Point(°C): 136°C
• Molecular Weight: 120.530 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 119.998 Da
• Monoisotopic Mass: 119.998 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 79.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xiyan Jian, Jiaxin Sun, Xiaojing Gu, Changtong Song, Xianhong Zhang, Wantai Yang.  (2023)  Quaternarized cationic poly[(vinyl chloride)-co-(vinyl chloroacetate)] binary copolymer as non-migration antibacterial additive in PVC matrix.  JOURNAL OF APPLIED POLYMER SCIENCE,  141  (8): (e54979).  [PMID:] [10.1002/app.54979]

2. Yang Hui, Ji Haijun, Zhou Xinxin, Yang Shihan, Li Liwei, Sun Chaoying, Lei Weiwei, Wang Runguo, Zhang Liqun.  (2023)  Design and preparation of a crosslinkable, oil-resistant, and bio-based elastomer from fumarate.  Science China-Chemistry,      [PMID:] [10.1007/s11426-023-1772-4]

3. Xiangchi Liu, Haowei Shen, Ailing Liu, Jie Hou, Yuanshan Cheng, Xinyu Yao, Haomiao Yang, Baijun Liu, Mingyao Zhang.  (2025)  Algal Surface-Inspired Chitosan-Modified Monodisperse Porous Polystyrene Microspheres: Pore Size Regulation and Adsorption Mechanism for Biopharmaceutical Wastewater.  LANGMUIR,      [PMID:40758781] [10.1021/acs.langmuir.5c02753]

4. Pengfei Wang, Lianjie Zhao, Linghua Xu, Jialong Wen, Tongqi Yuan, Xuefei Cao, Shaoni Sun.  (2025)  Synthesis of surface quaternized cellulose nanofibrils for high-performance antibacterial composite films.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.172226]

5. Pengfei Wang, Linghua Xu, Lianjie Zhao, Xuefei Cao, Shaoni Sun.  (2026)  Sustainable and reusable antibacterial aerogels constructed from surface-quaternized cellulose nanofibrils for effective oil-water separation.  CARBOHYDRATE POLYMERS,      [PMID:] [10.1016/j.carbpol.2026.125212]