Bromocholine Bromide - ≥99% , CAS No.2758-06-7

CAS: 2758-06-7 Cat. No.: B108989 Fórmula: C₅H₁₃BrN Peso molecular: 246.97 Número CE: 220-419-4 PubChem CID: 17689

GRADE & PURITY ≥99%

Synonyms

BETAB | Ethanaminium, 2-bromo-N,N,N-trimethyl-, bromide | AKOS015914942 | (2-bromoethyl)trimethylazanium bromide | BCB | Bromocholine bromide | 2-bromoethyl(trimethyl)ammonium | (BROMOETHYL)TRIMETHYLAMMONIUM BROMIDE | DTXSID10883725 | SCHEMBL786264 | BTAB

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

A thiol reactive alkyl halide and quaternary amine

Specifications

Sinónimos

BETAB | Ethanaminium, 2-bromo-N,N,N-trimethyl-, bromide | AKOS015914942 | (2-bromoethyl)trimethylazanium bromide | BCB | Bromocholine bromide | 2-bromoethyl(trimethyl)ammonium | (BROMOETHYL)TRIMETHYLAMMONIUM BROMIDE | DTXSID10883725 | SCHEMBL786264 | BTAB

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

• Pubchem Sid: 528757214
• Sorrisos canónicos: C[N+](C)(C)CCBr.[Br-]
• IUPAC Name: 2-bromoethyl(trimethyl)azanium;bromide
• InChIKey: OINMNSFDYTYXEQ-UHFFFAOYSA-M
• INCHI: 1S/C5H13BrN.BrH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
• SMILES isoméricas: C[N+](C)(C)CCBr.[Br-]
• WGK Alemanha: 3
• RTECS: BO9481000
• PubChem CID: 17689
• Número UN: 2811
• Grupo de embalagem: III
• Peso molecular: 246.97
• Reaxy-Rn: 3913242

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organobromides Organic bromide salts Hydrocarbon derivatives Amines Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO and Methanol
• Sensibilidade: Light sensitive.moisture sensitive
• Ponto de fusão (°C): 244°C
• Peso molecular: 246.970 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 246.939 Da
• Monoisotopic Mass: 244.941 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.500
• 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

Referências

1. Jiajia Li, Lipeng Yang, Haitao Zhang, Xiaoyan Ji.  (2022)  Self-healing composite solid electrolytes with enhanced Li+ transport and mechanical properties for safe lithium metal batteries.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.135418]

2. Xi-Tian Peng, Zhi-Guo Shi, Yu-Qi Feng.  (2011)  Rapid and high-throughput determination of cationic surfactants in environmental water samples by automated on-line polymer monolith microextraction coupled to high performance liquid chromatography–mass spectrometry.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:21514936] [10.1016/j.chroma.2011.04.009]

3. Baiwei Ma, Xuanyu Lin, Tiaotiao Zhu, Xiaofei Zheng, Juanfang Zhu.  (2025)  Enhanced antimicrobial performance of D-A covalent organic framework with pyridinium and quaternary ammonium groups and ROS activity.  Surfaces and Interfaces,      [PMID:] [10.1016/j.surfin.2025.106226]

4. Tiao Huang, Shenglin Wang, Hui Hu, Jianyi Wang, Xiaosong Zhang, Yanan Gao.  (2025)  Ionic-rich triazine-based two-dimensional covalent organic framework materials for high-performance zinc-iodine battery.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2025.236449]

5. Yutao Yang, Feifei Chen, Xiachu Xiao, Jianru Wang, Xiang Zhang, Borui Jiang, Yuxiang Xin, Zhitong Zhou, Zhengzheng Liu, Jiang Tang, Jiajun Luo, Zhuolei Zhang.  (2026)  Robust Quantum Cutting via Halide-Bearing Ligand Passivation and Gradient Halide Reconstruction for Ultrabroadband Ultraviolet-to-Near-Infrared Photodetection and Imaging.  ACS Nano,      [PMID:42400594] [10.1021/acsnano.6c06086]