2-Bromovaleric Acid - ≥98%(GC)(T) , CAS No.584-93-0

CAS: 584-93-0 Cat. No.: B152768 Fórmula: C₅H₉BrO₂ Peso molecular: 181.03 Beilstein Registry Number: 2(4)883 Número CE: 209-546-6

GRADE & PURITY ≥98%(GC)(T)

Synonyms

B0667 | Valeric acid, alpha-bromo- | 2-Bromovaleric acid, 98% | AI3-52317 | E77033 | EINECS 209-546-6 | J-508562 | 2-Bromovaleric acid | alpha-Bromopentanoic acid | alpha-Bromovaleric acid | DTXSID10883447 | .alpha.-Bromovaleric acid | .alpha.-Bromopentan

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

B0667 | Valeric acid, alpha-bromo- | 2-Bromovaleric acid, 98% | AI3-52317 | E77033 | EINECS 209-546-6 | J-508562 | 2-Bromovaleric acid | alpha-Bromopentanoic acid | alpha-Bromovaleric acid | DTXSID10883447 | .alpha.-Bromovaleric acid | .alpha.-Bromopentan

Especificações e pureza

≥98%(GC)(T)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)(T)

Nomes e identificadores

• Pubchem Sid: 488181342
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181342
• Sorrisos canónicos: CCCC(C(=O)O)Br
• IUPAC Name: 2-bromopentanoic acid
• InChIKey: WMFATTFQNRPXBQ-UHFFFAOYSA-N
• INCHI: 1S/C5H9BrO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
• SMILES isoméricas: CCCC(C(=O)O)Br
• WGK Alemanha: 3
• Peso molecular: 181.03
• Beilstein: 2(4)883
• Reaxy-Rn: 1721172
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721172&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Halogenated fatty acids
• Alternative Parents: Methyl-branched fatty acids Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched fatty acid - Halogenated fatty acid - Methyl-branched fatty acid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organobromide - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl bromide - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
• 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

• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 136°C/25mmHg(lit.)
• Peso molecular: 181.030 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 179.979 Da
• Monoisotopic Mass: 179.979 Da
• Topological Polar Surface Area: 37.300 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 584-93-0, the molecular formula is C5H9BrO2, and the molecular weight is 181.03 g/mol. InChIKey WMFATTFQNRPXBQ-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.