Methyl bromoacetate - ≥97% , CAS No.96-32-2

CAS: 96-32-2 Cat. No.: M106900 Peso molecular: 152.97 Beilstein Registry Number: 506256 Número EC: 202-499-2

GRADE & PURITY ≥97%

Synonyms

2-bromoacetic acid methyl ester | 2-bromo-acetic acid methyl ester | AKOS009158462 | BCP06456 | BrCH2COOCH3 | FT-0628707 | methylbromo-acetate | UN 2643 | Methyl bromoacetate | methyl -bromoacetate | methyl bromo-acetate | F2190-0277 | monobromo acetic ac

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Descripción general

Methyl bromoacetate was used in the synthesis of novel coumarins. It was also employed in the synthesis of cis-cyclopropanes

Specifications

Sinónimos

2-bromoacetic acid methyl ester | 2-bromo-acetic acid methyl ester | AKOS009158462 | BCP06456 | BrCH2COOCH3 | FT-0628707 | methylbromo-acetate | UN 2643 | Methyl bromoacetate | methyl -bromoacetate | methyl bromo-acetate | F2190-0277 | monobromo acetic ac

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

FedEx DG Service

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488183414
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183414
• Sonrisas canónicas: COC(=O)CBr
• IUPAC Name: methyl 2-bromoacetate
• InChIKey: YDCHPLOFQATIDS-UHFFFAOYSA-N
• INCHI: 1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3
• Isómeros SMILES: COC(=O)CBr
• WGK Alemania: 3
• RTECS: AF6300000
• Número ONU: 2643
• Grupo de embalaje: II
• Peso molecular: 152.97
• Beilstein: 506256
• Reaxy-Rn: 506256
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506256&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Alpha-halocarboxylic acid derivatives Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - 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 methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl 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: Soluble in water (very slightly), methanol, ether, and acetone
• Sensibilidad: Light &air sensitive
• Índice de refracción: 1.458
• Punto de inflamación (°F): 147.2 °F
• Punto de inflamación (°C): 62℃
• Punto de ebullición (°C): 51-52°C
• Peso molecular: 152.970 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.947 Da
• Monoisotopic Mass: 151.947 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 52.800
• 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

Referencias

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