Allyl chloroacetate - ≥98% , CAS No.2916-14-5

CAS: 2916-14-5 Cat. No.: A113257 Formula: C₅H₇ClO₂ Peso molecolare: 134.56 Numero EC: 220-839-8

GRADE & PURITY ≥98%

Synonyms

Chloroacetic acid allyl ester | chloro-acetic acid allyl ester | NSC 44997 | Acetic acid, chloro-, allyl ester | Allyl 2-chloroacetate | allyl monochloroacetate | Q63395433 | prop-2-en-1-yl 2-chloroacetate | Acetylene carbamide | EN300-344140 | DTXSID9018

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Chloroacetic acid allyl ester | chloro-acetic acid allyl ester | NSC 44997 | Acetic acid, chloro-, allyl ester | Allyl 2-chloroacetate | allyl monochloroacetate | Q63395433 | prop-2-en-1-yl 2-chloroacetate | Acetylene carbamide | EN300-344140 | DTXSID9018

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488185226

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185226

Sorrisi canonici

C=CCOC(=O)CCl

IUPAC Name

prop-2-enyl 2-chloroacetate

InChIKey

VMBJJCDVORDOCF-UHFFFAOYSA-N

INCHI

1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2

Isomeri SMILES

C=CCOC(=O)CCl

WGK Germania

3

Peso molecolare

134.56

Reaxy-Rn

1747000

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747000&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acid derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid derivative - Carboxylic acid ester - 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
• Descrizione: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.445
• Punto di infiammabilità (°F): 61℃
• Punto di infiammabilità (°C): 61℃
• Punto di ebollizione (°C): 164°C
• Peso molecolare: 134.560 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 134.013 Da
• Monoisotopic Mass: 134.013 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 90.400
• 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