Isopropyl 2-Bromo-2-methylpropionate - ≥97%(GC) , CAS No.51368-55-9

CAS: 51368-55-9 Cat. No.: I157499 Peso molecular: 209.08 Número EC: 257-158-0

GRADE & PURITY ≥97%(GC)

Synonyms

isopropyl 2-bromoisobutyrate | 2-BROMO-2-METHYLPROPANOIC ACID ISOPROPYL ESTER | AM90216 | 2-Bromoisobutyricacidisopropylester | AKOS015918184 | ISOPROPYL 2-BROMO-2-METHYLPROPANOATE | isopropyl 2-bromo-2-methyl-propanoate | I0920 | FT-0611572 | MFCD0005523

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

isopropyl 2-bromoisobutyrate | 2-BROMO-2-METHYLPROPANOIC ACID ISOPROPYL ESTER | AM90216 | 2-Bromoisobutyricacidisopropylester | AKOS015918184 | ISOPROPYL 2-BROMO-2-METHYLPROPANOATE | isopropyl 2-bromo-2-methyl-propanoate | I0920 | FT-0611572 | MFCD0005523

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 504762178
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762178
• Sonrisas canónicas: CC(C)OC(=O)C(C)(C)Br
• IUPAC Name: propan-2-yl 2-bromo-2-methylpropanoate
• InChIKey: UNZJYKKJZGIFCG-UHFFFAOYSA-N
• INCHI: 1S/C7H13BrO2/c1-5(2)10-6(9)7(3,4)8/h5H,1-4H3
• Isómeros SMILES: CC(C)OC(=O)C(C)(C)Br
• Peso molecular: 209.08
• Reaxy-Rn: 1754248
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754248&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

• Índice de refracción: 1.44
• Punto de inflamación (°C): 56°C(lit.)
• Punto de ebullición (°C): 160 °C
• Peso molecular: 209.080 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 208.01 Da
• Monoisotopic Mass: 208.01 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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