Methyl 3-Bromopyruvate - ≥80% , CAS No.7425-63-0

CAS: 7425-63-0 Cat. No.: M572938 Fórmula: C₄H₅BrO₃ Peso molecular: 180.99 Beilstein Registry Number: 1754890 Número CE: 629-557-3

GRADE & PURITY ≥80%

Synonyms

FT-0685398 | EN300-60950 | 3-Bromopyruvic Acid Methyl Ester | methyl 3-bromo-2-oxopropanoate | methyl 3-bromo-2-oxo-propanoate | J-522593 | DTXSID00326318 | MFCD01862963 | AKOS015949584 | Methyl bromopyruvate | AMY30900 | C4H5BrO3 | Propanoic acid, 3-brom

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

FT-0685398 | EN300-60950 | 3-Bromopyruvic Acid Methyl Ester | methyl 3-bromo-2-oxopropanoate | methyl 3-bromo-2-oxo-propanoate | J-522593 | DTXSID00326318 | MFCD01862963 | AKOS015949584 | Methyl bromopyruvate | AMY30900 | C4H5BrO3 | Propanoic acid, 3-brom

Especificações e pureza

≥80%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥80%

Nomes e identificadores

Pubchem Sid

488189622

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189622

Sorrisos canónicos

COC(=O)C(=O)CBr

IUPAC Name

methyl 3-bromo-2-oxopropanoate

InChIKey

MQONVZMIFQQQHA-UHFFFAOYSA-N

INCHI

1S/C4H5BrO3/c1-8-4(7)3(6)2-5/h2H2,1H3

SMILES isoméricas

COC(=O)C(=O)CBr

WGK Alemanha

3

Peso molecular

180.99

Beilstein

1754890

Reaxy-Rn

1754888

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754888&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Keto acids and derivatives
      • Subclass Alpha-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Keto acids and derivatives
• Subclass: Alpha-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-keto acids and derivatives
• Alternative Parents: Methyl esters Alpha-haloketones Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-keto acid - Alpha-haloketone - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Organobromide - Organooxygen compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.
• 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

Propriedades químicas e físicas

• Sensibilidade: Sensitive to light, heat and humidity
• Índice de refração: 1.48
• Ponto de inflamação (°F): 257 °F
• Ponto de inflamação (°C): 125°C
• Ponto de ebulição (°C): 84°C
• Ponto de fusão (°C): 5°C
• Peso molecular: 180.980 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.942 Da
• Monoisotopic Mass: 179.942 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥80% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 7425-63-0, the molecular formula is C4H5BrO3, and the molecular weight is 180.99 g/mol. InChIKey MQONVZMIFQQQHA-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.