16-Bromohexadecanoic acid - ≥98% , CAS No.2536-35-8

CAS: 2536-35-8 Cat. No.: B169059 Formula: BrCH₂(CH₂)₁₄CO₂H Molecular Weight: 335.32 EC Number: 627-997-0

GRADE & PURITY ≥98%

Synonyms

A817815 | 16-Bromohexadecanoic acid # | 16-Bromohexadecanoic acid, technical grade, 85% | 16bromohexadecanoic acid | 16-Bromohexadecanoic acid | 16-bromo-hexadecanoic acid | GS-6704 | SCHEMBL306910 | 16-BROMO-HEXADECANECARBOXYLIC ACID | J-015956 | 16-Brom

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

A817815 | 16-Bromohexadecanoic acid # | 16-Bromohexadecanoic acid, technical grade, 85% | 16bromohexadecanoic acid | 16-Bromohexadecanoic acid | 16-bromo-hexadecanoic acid | GS-6704 | SCHEMBL306910 | 16-BROMO-HEXADECANECARBOXYLIC ACID | J-015956 | 16-Brom

Specifications & Purity

≥98%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504759569
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759569
• Canonical Smiles: C(CCCCCCCC(=O)O)CCCCCCCBr
• IUPAC Name: 16-bromohexadecanoic acid
• InChIKey: PFNCOYVEMJYEED-UHFFFAOYSA-N
• INCHI: 1S/C16H31BrO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)
• Isomeric SMILES: C(CCCCCCCC(=O)O)CCCCCCCBr
• WGK Germany: 3
• Molecular Weight: 335.32
• Reaxy-Rn: 1783743
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1783743&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: 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

Chemical and Physical Properties

• Boil Point(°C): 214-217 °C/1 mmHg (lit.)
• Melt Point(°C): 68-71 °C (lit.) 70-73 °C (lit.)
• Molecular Weight: 335.320 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 334.151 Da
• Monoisotopic Mass: 334.151 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 195.000
• 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