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

CAS: 7425-63-0 Cat. No.: M572938 Peso molecular: 180.99 Beilstein Registry Number: 1754890 Número EC: 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

Especificaciones y pureza

≥80%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥80%

Nombres e identificadores

• Pubchem Sid: 488189622
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189622
• Sonrisas canónicas: 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
• Isómeros SMILES: COC(=O)C(=O)CBr
• WGK Alemania: 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
    • Clase Keto acids and derivatives
      • Subclass Alpha-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Sensitive to light, heat and humidity
• Índice de refracción: 1.48
• Punto de inflamación (°F): 257 °F
• Punto de inflamación (°C): 125°C
• Punto de ebullición (°C): 84°C
• Punto de fusión (°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