Ethyl 2-bromopropionate - ≥98% , CAS No.535-11-5

CAS: 535-11-5 Cat. No.: E106089 Fórmula: C₅H₉BrO₂ Peso molecular: 181.03 Beilstein Registry Number: 773920 Número EC: 208-609-5

GRADE & PURITY ≥98%

Synonyms

(+/-)-ETHYL .ALPHA.-BROMOPROPIONATE | 2-bromopropionic acid ethylester | EINECS 255-601-2 | ETHYL .ALPHA.-BROMOPROPIONATE [MI] | .alpha.-Bromopropionic acid ethyl ester | Ethyl (1)-2-bromopropionate | ethyl 2-bromoproionate | Ethyl 2-bromopropanoate | eth

Storage

Room temperature

Shipped In

Normal

Descripción general

ItÂ’s an important organic intermediate can be used in agrochemical, pharmaceutical synthesis and dyestuff field.

Specifications

Sinónimos

(+/-)-ETHYL .ALPHA.-BROMOPROPIONATE | 2-bromopropionic acid ethylester | EINECS 255-601-2 | ETHYL .ALPHA.-BROMOPROPIONATE [MI] | .alpha.-Bromopropionic acid ethyl ester | Ethyl (1)-2-bromopropionate | ethyl 2-bromoproionate | Ethyl 2-bromopropanoate | eth

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488185666

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185666

Sonrisas canónicas

CCOC(=O)C(C)Br

IUPAC Name

ethyl 2-bromopropanoate

InChIKey

ARFLASKVLJTEJD-UHFFFAOYSA-N

INCHI

1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3

Isómeros SMILES

CCOC(=O)C(C)Br

WGK Alemania

3

RTECS

UA2451730

Número ONU

2920

Grupo de embalaje

II

Peso molecular

181.03

Beilstein

773920

Reaxy-Rn

773920

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773920&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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 Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• 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 - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Immiscible in water. Soluble in alcohol and ether.
• Sensibilidad: light sensitive
• Índice de refracción: 1.449
• Punto de inflamación (°F): 123.8 °F
• Punto de inflamación (°C): 51℃
• Punto de ebullición (°C): 156-160°C
• Peso molecular: 181.030 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 179.979 Da
• Monoisotopic Mass: 179.979 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.500
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 535-11-5, the molecular formula is C5H9BrO2, and the molecular weight is 181.03 g/mol. InChIKey ARFLASKVLJTEJD-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.