Tributylmethylammonium bromide - ≥98% , CAS No.37026-88-3

CAS: 37026-88-3 Cat. No.: T169964 分子式: C₁₃H₃₀BrN 分子量: 280.29 Beilstein Registry Number: 3704270 EC番号: 253-313-1

GRADE & PURITY ≥98%

Synonyms

EINECS 253-313-1 | Methyl tributyl ammonium bromide | E79215 | N,N-dibutyl-N-methylbutan-1-aminium bromide | MFCD00043201 | Methyltri-n-Butylammonium Bromide | AKOS024437842 | SCHEMBL238424 | Tri-n-butylmethylammonium bromide | Methyltributylammonium brom

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

EINECS 253-313-1 | Methyl tributyl ammonium bromide | E79215 | N,N-dibutyl-N-methylbutan-1-aminium bromide | MFCD00043201 | Methyltri-n-Butylammonium Bromide | AKOS024437842 | SCHEMBL238424 | Tri-n-butylmethylammonium bromide | Methyltributylammonium brom

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488196520
• カノニカル・スマイル: CCCC[N+](C)(CCCC)CCCC.[Br-]
• IUPAC Name: tributyl(methyl)azanium;bromide
• InChIKey: DHAWHVVWUNNONG-UHFFFAOYSA-M
• INCHI: 1S/C13H30N.BrH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
• 異性体SMILES: CCCC[N+](C)(CCCC)CCCC.[Br-]
• WGKドイツ: 3
• 代替CAS番号: 29814-63-9
• 分子量: 280.29
• Beilstein: 3704270

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organic bromide salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Organic cation - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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

化学的性質と物理的性質

• 溶解度: H2O: 0.1 g/mL, clear, colorless
• 感度: Moisture sensitive.
• 融点（°C）: 120-122 °C
• 分子量: 280.290 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 279.156 Da
• Monoisotopic Mass: 279.156 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 98.600
• 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: 2

XLogP3

参考文献

1. Hu Wenxu, Ge Dandan, Fu Feie, Yuan Lin, Yang Chunyan, Weng Zhehui, Huang Yao.  (2026)  Supramolecular solvents based on deep eutectic solvents and hexafluorobutanol for the extraction of aristolochic acids from natural plants.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,      [PMID:41642342] [10.1007/s00216-026-06357-w]

2. Shen Yinlin, Zhang Hao, Wu Yuxuan, Sun Mingzi, Feng Doudou, Qin Jiaqian, Shi Zhengyu, Huang Bolong, Xu Jijian.  (2026)  Unlocking High-Valent Chalcogen Redox with Halide-Rich Electrolytes for High-Energy Lithium Batteries.  Nature Communications,      [PMID:] [10.1038/s41467-026-77258-w]

よくある質問

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 room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 37026-88-3, the molecular formula is C13H30BrN, and the molecular weight is 280.29 g/mol. InChIKey DHAWHVVWUNNONG-UHFFFAOYSA-M.

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.