Methyl 10-bromodecanoate - technical grade, ≥90% , CAS No.26825-94-5

CAS: 26825-94-5 Cat. No.: M466962 Formule: Br(CH₂)₉CO₂CH₃ Poids moléculaire: 265.19 Numéro CE: 839-773-1

GRADE & PURITY Technical grade, ≥90%

Synonyms

methyl-10bromodecanoate | Methyl-10-bromodecanoate | Decanoic acid, 10-bromo-, methyl ester | D94757 | DTXSID80339143 | Methyl 10-bromodecanoate | AKOS015950683 | SCHEMBL454130 | BS-23595 | Methyl 10-bromodecanoate, 90%, technical grade | J-016563 | 10-br

Storage

Room temperature

Specifications

Synonymes

methyl-10bromodecanoate | Methyl-10-bromodecanoate | Decanoic acid, 10-bromo-, methyl ester | D94757 | DTXSID80339143 | Methyl 10-bromodecanoate | AKOS015950683 | SCHEMBL454130 | BS-23595 | Methyl 10-bromodecanoate, 90%, technical grade | J-016563 | 10-br

Spécifications et pureté

technical grade, ≥90%

Conditions de stockage de stockage

Room temperature

Grade

Qualité technique

Pureté

≥90%

Noms et identifiants

Pubchem Sid

504759234

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759234

Sourires canoniques

COC(=O)CCCCCCCCCBr

IUPAC Name

methyl 10-bromodecanoate

InChIKey

SHCRSWJVWSAMKQ-UHFFFAOYSA-N

INCHI

1S/C11H21BrO2/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h2-10H2,1H3

Isomères SMILES

COC(=O)CCCCCCCCCBr

WGK Allemagne

3

Poids moléculaire

265.19

Reaxy-Rn

1767184

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1767184&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: n20/D 1.464(lit.)
• Point d'éclair (°F): >235.4 °F
• Point d'éclair (°C): >113 °C
• Point d'ébullition (°C): 186° C (lit.)
• Poids moléculaire: 265.190 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 264.072 Da
• Monoisotopic Mass: 264.072 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 137.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What does technical grade mean?

technical grade indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 26825-94-5, the molecular formula is C11H21BrO2, and the molecular weight is 265.19 g/mol. InChIKey SHCRSWJVWSAMKQ-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.