15-Bromopentadecanoic acid - ≥97% , CAS No.56523-59-2

CAS: 56523-59-2 Cat. No.: B193968 Formula: C₁₅H₂₉BrO₂ Molecular Weight: 321.29

GRADE & PURITY ≥97%

Synonyms

C75652 | SY101926 | 15-Bromopentadecanoic acid # | 15-Bromopentadecanoic acid | 15-Bromo-pentadecanoic acid | AKOS005138022 | DTXSID50338981 | FT-0651143 | J-504149 | MFCD00210025 | DS-15171 | A20966 | SCHEMBL557471 | AMY10920 | C15H29BrO2 | Pentadecanoic

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

C75652 | SY101926 | 15-Bromopentadecanoic acid # | 15-Bromopentadecanoic acid | 15-Bromo-pentadecanoic acid | AKOS005138022 | DTXSID50338981 | FT-0651143 | J-504149 | MFCD00210025 | DS-15171 | A20966 | SCHEMBL557471 | AMY10920 | C15H29BrO2 | Pentadecanoic

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

488190263

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190263

Canonical Smiles

C(CCCCCCCBr)CCCCCCC(=O)O

IUPAC Name

15-bromopentadecanoic acid

InChIKey

OLACPKKVZSLCSI-UHFFFAOYSA-N

INCHI

1S/C15H29BrO2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h1-14H2,(H,17,18)

Isomeric SMILES

C(CCCCCCCBr)CCCCCCC(=O)O

Molecular Weight

321.29

Reaxy-Rn

1780874

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1780874&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-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: Long-chain fatty acid - Halogenated fatty acid - Straight chain fatty acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Alkyl halide - Organic oxide - Organic oxygen compound - Alkyl bromide - Carbonyl group - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• 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

Chemical and Physical Properties

• Molecular Weight: 321.290 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 320.135 Da
• Monoisotopic Mass: 320.135 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 183.000
• 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

Frequently Asked Questions

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 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 56523-59-2, the molecular formula is C15H29BrO2, and the molecular weight is 321.29 g/mol. InChIKey OLACPKKVZSLCSI-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.