13-Brom-1-tridecanol - ≥95% , CAS No.116754-58-6

CAS: 116754-58-6 Cat. No.: B348806 Summenformel: C₁₃H₂₇BrO Molekulargewicht: 279.26 EG-Nummer: 672-419-2

GRADE & PURITY ≥95%

Synonyms

AS-38597 | DTXSID30364667 | 13-bromanyltridecan-1-ol | BBL028690 | FT-0642848 | FJBCXJNCEVECEC-UHFFFAOYSA-N | 13-bromo-tridecan-1-ol | 13-bromotridecan-1-ol | BCP19148 | STK709216 | 1-Tridecanol, 13-bromo- | 13-Bromo-1-tridecanol | AKOS005522597 | A803666

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Specifications

Synonyme

AS-38597 | DTXSID30364667 | 13-bromanyltridecan-1-ol | BBL028690 | FT-0642848 | FJBCXJNCEVECEC-UHFFFAOYSA-N | 13-bromo-tridecan-1-ol | 13-bromotridecan-1-ol | BCP19148 | STK709216 | 1-Tridecanol, 13-bromo- | 13-Bromo-1-tridecanol | AKOS005522597 | A803666

Spezifikationen & Reinheit

≥95%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C(CCCCCCO)CCCCCCBr
• IUPAC Name: 13-bromotridecan-1-ol
• InChIKey: FJBCXJNCEVECEC-UHFFFAOYSA-N
• INCHI: 1S/C13H27BrO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h15H,1-13H2
• Isomere SMILES: C(CCCCCCO)CCCCCCBr
• Molekulargewicht: 279.26
• Reaxy-Rn: 1746523
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746523&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 279.260 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 278.125 Da
• Monoisotopic Mass: 278.125 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 107.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% 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 116754-58-6, the molecular formula is C13H27BrO, and the molecular weight is 279.26 g/mol. InChIKey FJBCXJNCEVECEC-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.