Methyl 5-Bromovalerate - ≥97%(GC) , CAS No.5454-83-1

CAS: 5454-83-1 Cat. No.: M157983 Fórmula: C₆H₁₁BrO₂ Peso molecular: 195.06 Beilstein Registry Number: 1749650 Número EC: 226-709-7

GRADE & PURITY ≥97%(GC)

Synonyms

methyl-5-bromovalerate | Methyl 5-bromovalerate, 97% | 6V7G304M5M | Methyl .omega.-bromopentanoate | DTXSID0044236 | (2S-cis)-5-(2-(Dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one | Br(CH2)4C(O)OCH3 | Methyl 5-b

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

methyl-5-bromovalerate | Methyl 5-bromovalerate, 97% | 6V7G304M5M | Methyl .omega.-bromopentanoate | DTXSID0044236 | (2S-cis)-5-(2-(Dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one | Br(CH2)4C(O)OCH3 | Methyl 5-b

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

Pubchem Sid

488185747

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185747

Sonrisas canónicas

COC(=O)CCCCBr

IUPAC Name

methyl 5-bromopentanoate

InChIKey

RAVVJKCSZXAIQP-UHFFFAOYSA-N

INCHI

1S/C6H11BrO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3

Isómeros SMILES

COC(=O)CCCCBr

WGK Alemania

3

Peso molecular

195.06

Beilstein

1749650

Reaxy-Rn

1749649

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749649&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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 fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail 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

• Índice de refracción: 1.46
• Punto de inflamación (°F): 210.2 °F
• Punto de inflamación (°C): 99 °C
• Punto de ebullición (°C): 89 °C/8 mmHg
• Peso molecular: 195.050 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 193.994 Da
• Monoisotopic Mass: 193.994 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.100
• 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

Preguntas frecuentes

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

This product is supplied at ≥97% 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 5454-83-1, the molecular formula is C6H11BrO2, and the molecular weight is 195.06 g/mol. InChIKey RAVVJKCSZXAIQP-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.