2-Bromododecanoic acid - ≥98% , CAS No.111-56-8

CAS: 111-56-8 Cat. No.: B465098 Fórmula: CH₃(CH₂)₉CHBrCOOH Peso molecular: 279.21 Número EC: 203-882-7

GRADE & PURITY ≥98%

Synonyms

.alpha.-Bromolauric acid | MFCD00021693 | LMFA01090009 | 2-Bromododecanoic acid, >=98.0% | NSC 79886 | DTXSID60870463 | FT-0611550 | 2-Bromododecanoicacid | A802384 | alpha-Bromolauric | AKOS015919065 | Dodecanoic acid, 2-bromo- | bromododecanoic acid | .

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Description

2-Bromododecanoic acid was used in the synthesis of carboxylic amphoteric surfactants containing ether tertiary amino and carboxylic groups. It was also used in the synthesis of C12-lipoamino acid.

Specifications

Sinónimos

.alpha.-Bromolauric acid | MFCD00021693 | LMFA01090009 | 2-Bromododecanoic acid, >=98.0% | NSC 79886 | DTXSID60870463 | FT-0611550 | 2-Bromododecanoicacid | A802384 | alpha-Bromolauric | AKOS015919065 | Dodecanoic acid, 2-bromo- | bromododecanoic acid | .

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCC(C(=O)O)Br
• IUPAC Name: 2-bromododecanoic acid
• InChIKey: HXKXBCBZXXQPPD-UHFFFAOYSA-N
• INCHI: 1S/C12H23BrO2/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11H,2-10H2,1H3,(H,14,15)
• Isómeros SMILES: CCCCCCCCCCC(C(=O)O)Br
• WGK Alemania: 3
• Peso molecular: 279.21
• Reaxy-Rn: 1774990
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1774990&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 Alpha-halocarboxylic 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 - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl bromide - Alkyl halide - 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: methanol: soluble 1g/10 mL, clear, colorless
• Peso molecular: 279.210 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 278.088 Da
• Monoisotopic Mass: 278.088 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 160.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 111-56-8, the molecular formula is CH3(CH2)9CHBrCOOH, and the molecular weight is 279.21 g/mol. InChIKey HXKXBCBZXXQPPD-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.