10-Bromodecanoic acid - ≥97% , CAS No.50530-12-6

CAS: 50530-12-6 Cat. No.: C118560 Fórmula: Br(CH₂)₉CO₂H Peso molecular: 251.16 Beilstein Registry Number: 2(4)1055 Número EC: 678-090-1

GRADE & PURITY ≥97%

Synonyms

SY018373 | ghl.PD_Mitscher_leg0.481 | A828154 | A871530 | C10H19BrO2 | DTXSID30198540 | 10-Bromodecanoic acid | 10-bromo-decanoic acid | AMY820 | LMFA01090002 | SCHEMBL347928 | Decanoic acid, 10-bromo- | 10-Bromodecanoicacid | B2264 | Omega.-Bromodecanoic

Storage

Room temperature

Shipped In

Normal

Descripción general

10-Bromodecanoic acid can be prepared from 10-bromodecanol via oxidation.
10-Bromodecanoic acid may be employed as an alkylcarboxylate chain source in the preparation of alkylcarboxylate-grafted polyethylenimine.[1] It may also be used in the synthesis of : . 10-(methylsulfinyl)decanoic acid . 10-cyanodecanoic acid . (10-oxo-10-(4-(3-thioxo-3H-1,2-dithiol-5-yl)phenoxy)-decyl)triphenylphosphonium bromide . 11-thiastearic acid

Specifications

Sinónimos

SY018373 | ghl.PD_Mitscher_leg0.481 | A828154 | A871530 | C10H19BrO2 | DTXSID30198540 | 10-Bromodecanoic acid | 10-bromo-decanoic acid | AMY820 | LMFA01090002 | SCHEMBL347928 | Decanoic acid, 10-bromo- | 10-Bromodecanoicacid | B2264 | Omega.-Bromodecanoic

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488188149
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188149
• Sonrisas canónicas: C(CCCCC(=O)O)CCCCBr
• IUPAC Name: 10-bromodecanoic acid
• InChIKey: PGVRSPIEZYGOAD-UHFFFAOYSA-N
• INCHI: 1S/C10H19BrO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)
• Isómeros SMILES: C(CCCCC(=O)O)CCCCBr
• WGK Alemania: 3
• Peso molecular: 251.16
• Beilstein: 2(4)1055
• Reaxy-Rn: 1765027
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1765027&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Halogenated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Halogenated fatty acid - Straight chain fatty acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organobromide - Organohalogen compound - Alkyl halide - Organic oxygen compound - Alkyl bromide - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Halogenated fatty acids

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: Partly miscible in water.
• Sensibilidad: air sensitive
• Punto de fusión (°C): 38-41°C
• Peso molecular: 251.160 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 250.057 Da
• Monoisotopic Mass: 250.057 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 126.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 50530-12-6, the molecular formula is C10H19BrO2, and the molecular weight is 251.16 g/mol. InChIKey PGVRSPIEZYGOAD-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.