1-Chloro-2-methylpropyl propionate - ≥95% , CAS No.58304-65-7

CAS: 58304-65-7 Cat. No.: C194059 Fórmula: C₇H₁₃ClO₂ Peso molecular: 164.63

CALIDAD & PUREZA ≥95%

Synonyms

(1-chloro-2-methylpropyl) propanoate | 1-Chloroisobutyl propanoate | DTXSID40506031 | A869482 | SCHEMBL1171744 | IMIXSAYOLYBZBI-UHFFFAOYSA-N | 1-CHLOROISOBUTYL PROPIONATE | 1-Chloroisobutyl propionate (Technical Grade) | 1-Chloro-2-methylpropyl propionate

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

(1-chloro-2-methylpropyl) propanoate | 1-Chloroisobutyl propanoate | DTXSID40506031 | A869482 | SCHEMBL1171744 | IMIXSAYOLYBZBI-UHFFFAOYSA-N | 1-CHLOROISOBUTYL PROPIONATE | 1-Chloroisobutyl propionate (Technical Grade) | 1-Chloro-2-methylpropyl propionate

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

528769254

Sonrisas canónicas

CCC(=O)OC(C(C)C)Cl

IUPAC Name

(1-chloro-2-methylpropyl) propanoate

InChIKey

IMIXSAYOLYBZBI-UHFFFAOYSA-N

INCHI

1S/C7H13ClO2/c1-4-6(9)10-7(8)5(2)3/h5,7H,4H2,1-3H3

Isómeros SMILES

CCC(=O)OC(C(C)C)Cl

Peso molecular

164.63

Reaxy-Rn

1754568

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754568&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 164.630 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.06 Da
• Monoisotopic Mass: 164.06 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 112.000
• 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