Chlorure d'acétoxyacétyle - ≥97% , CAS No.13831-31-7

CAS: 13831-31-7 Cat. No.: A100732 Formule: C₄H₅ClO₃ Poids moléculaire: 136.53 Beilstein Registry Number: 3240 Numéro CE: 237-542-4

QUALITÉ & PURETÉ ≥97%

Synonyms

MFCD00011535 | acetoxyacetic acid chloride | acetyloxyacetyl chloride | SCHEMBL5288 | 2-Chloro-2-oxoethyl acetate | A807373 | Q27294994 | (2-chloro-2-oxo-ethyl)acetate | (acetyloxy)acetyl chloride | alpha-acetoxy acetyl chloride | EINECS 237-542-4 | aceti

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

application：

Le chlorure d'acétoxyacétyle a été utilisé dans la synthèse de conformères axiaux et équatoriaux stabilisés de spiro-β-lactames et d'acides glycolylhydroxamiques.

Spécifications

Synonymes

MFCD00011535 | acetoxyacetic acid chloride | acetyloxyacetyl chloride | SCHEMBL5288 | 2-Chloro-2-oxoethyl acetate | A807373 | Q27294994 | (2-chloro-2-oxo-ethyl)acetate | (acetyloxy)acetyl chloride | alpha-acetoxy acetyl chloride | EINECS 237-542-4 | aceti

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488183010

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183010

Sourires canoniques

CC(=O)OCC(=O)Cl

IUPAC Name

(2-chloro-2-oxoethyl) acetate

InChIKey

HZDNNJABYXNPPV-UHFFFAOYSA-N

INCHI

1S/C4H5ClO3/c1-3(6)8-2-4(5)7/h2H2,1H3

Isomères SMILES

CC(=O)OCC(=O)Cl

WGK Allemagne

3

Numéro ONU

3265

Poids moléculaire

136.53

Beilstein

3240

Reaxy-Rn

906916

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906916&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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

Propriétés chimiques et physiques

• Solubilité: Reacts with water violently.
• Sensibilité: Moisture sensitive.
• Indice de réfraction: 1.4255-1.4275
• Point d'éclair (°F): 159.8 °F
• Point d'éclair (°C): 71℃
• Point d'ébullition (°C): 55 °C/12 mmHg
• Poids moléculaire: 136.530 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 135.993 Da
• Monoisotopic Mass: 135.993 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 110.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13831-31-7, the molecular formula is C4H5ClO3, and the molecular weight is 136.53 g/mol. InChIKey HZDNNJABYXNPPV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.