2-Acetoxypropionylchlorid - ≥97% , CAS No.38939-83-2

CAS: 38939-83-2 Cat. No.: A151625 Summenformel: C₅H₇ClO₃ Molekulargewicht: 150.56 EG-Nummer: 609-599-9

GRADE & PURITY ≥97%

Synonyms

T70869 | 1-Chlor-1-oxopropan-2-yl-acetat | (R)-1-Chlor-1-oxopropan-2-yl-acetat | MFCD18969061 | 2-Acetoxypropanoylchlorid | 2-Acetoxypropionylchlorid | FT-0605203 | DTXSID60404126 | O-Acetyllactoylchlorid | (1-Chlor-1-oxopropan-2-yl)acetat |

Storage

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Specifications

Synonyme

T70869 | 1-Chlor-1-oxopropan-2-yl-acetat | (R)-1-Chlor-1-oxopropan-2-yl-acetat | MFCD18969061 | 2-Acetoxypropanoylchlorid | 2-Acetoxypropionylchlorid | FT-0605203 | DTXSID60404126 | O-Acetyllactoylchlorid | (1-Chlor-1-oxopropan-2-yl)acetat |

Spezifikationen & Reinheit

≥97%

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508808037

Kanonisches Lächeln

CC(C(=O)Cl)OC(=O)C

IUPAC Name

(1-chloro-1-oxopropan-2-yl) acetate

InChIKey

ALHZEIINTQJLOT-UHFFFAOYSA-N

INCHI

1S/C5H7ClO3/c1-3(5(6)8)9-4(2)7/h3H,1-2H3

Isomere SMILES

CC(C(=O)Cl)OC(=O)C

Molekulargewicht

150.56

Reaxy-Rn

1722941

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722941&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture Sensitive,Heat Sensitive
• Brechungsindex: 1.42
• Flammpunkt (°C): 63 °C
• Siedepunkt (°C): 58°C/15mmHg(lit.)
• Molekulargewicht: 150.560 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 150.008 Da
• Monoisotopic Mass: 150.008 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 132.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1