1-Bromoethyl Acetate - ≥95% , CAS No.40258-78-4

CAS: 40258-78-4 Cat. No.: B303662 Fórmula: C₄H₇BrO₂ Peso molecular: 167 Número EC: 609-807-8

GRADE & PURITY ≥95%

Synonyms

SCHEMBL230054 | SY067153 | (RS) 1-acetoxyethyl bromide | FT-0663735 | FS-4056 | (RS)-1-Acetoxyethylbromide | Acetic acid 1-bromo-ethyl ester | AKOS006285717 | 1-(acetoxy)ethyl bromide | 1-Acetoxyethyl Bromide | BCP30449 | (RS)-1-Acetoxyethyl Bromide | 1-B

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Specifications

Sinónimos

SCHEMBL230054 | SY067153 | (RS) 1-acetoxyethyl bromide | FT-0663735 | FS-4056 | (RS)-1-Acetoxyethylbromide | Acetic acid 1-bromo-ethyl ester | AKOS006285717 | 1-(acetoxy)ethyl bromide | 1-Acetoxyethyl Bromide | BCP30449 | (RS)-1-Acetoxyethyl Bromide | 1-B

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged,Desiccated

Enviado en

Ice chest + Ice pads

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

488197208

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197208

Sonrisas canónicas

CC(OC(=O)C)Br

IUPAC Name

1-bromoethyl acetate

InChIKey

IIASCQBFNHWZBE-UHFFFAOYSA-N

INCHI

1S/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3

Isómeros SMILES

CC(OC(=O)C)Br

Peso molecular

167

Reaxy-Rn

1743089

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743089&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 Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - 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

• Solubilidad: Solubility in Chlorofor，Solubility in Methanol
• Índice de refracción: 1.451
• Punto de ebullición (°C): 141.55 ºC
• Peso molecular: 167.000 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.963 Da
• Monoisotopic Mass: 165.963 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 72.100
• 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