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

CAS: 2758-06-7 Cat. No.: B108989 Peso molecular: 246.97 Número EC: 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

Descripción general

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

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C[N+](C)(C)CCBr.[Br-]
• WGK Alemania: 3
• RTECS: BO9481000
• PubChem CID: 17689
• Número ONU: 2811
• Grupo de embalaje: III
• Peso molecular: 246.97
• Reaxy-Rn: 3913242

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO and Methanol
• Sensibilidad: Light sensitive.moisture sensitive
• Punto de fusión (°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

Referencias

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]