Trimethylphenylammonium chloride - ≥98% , CAS No.138-24-9

CAS: 138-24-9 Cat. No.: T107303 Peso molecular: 171.67 Beilstein Registry Number: 3572527 Número EC: 205-319-0 PubChem CID: 67309

GRADE & PURITY ≥98%

Synonyms

P0244 | Benzenaminium, N,N,N-trimethyl-, chloride | EC 205-319-0 | HY-W016923 | phenyl trimethyl ammonium chloride | N,N,N-trimethylbenzenaminium | phenyltrimethyl ammonium chloride | EINECS 205-319-0 | n,n,n-trimethylbenzenaminiumchloride | SCHEMBL237898

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications

Sinónimos

P0244 | Benzenaminium, N, N, N-trimethyl-, chloride | EC 205-319-0 | HY-W016923 | phenyl trimethyl ammonium chloride | N, N, N-trimethylbenzenaminium | phenyltrimethyl ammonium chloride | EINECS 205-319-0 | n, n, n-trimethylbenzenaminiumchloride | SCHEMBL237898

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Cool

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C[N+](C)(C)C1=CC=CC=C1.[Cl-]
• IUPAC Name: trimethyl(phenyl)azanium;chloride
• InChIKey: MQAYPFVXSPHGJM-UHFFFAOYSA-M
• INCHI: 1S/C9H14N.ClH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
• Isómeros SMILES: C[N+](C)(C)C1=CC=CC=C1.[Cl-]
• WGK Alemania: 1
• RTECS: BT2190000
• PubChem CID: 67309
• Número ONU: 2811
• Peso molecular: 171.67
• Beilstein: 3572527
• Reaxy-Rn: 3572527

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Quaternary ammonium salts Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Quaternary ammonium salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water 333 g/L.
• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 246-248°C
• Peso molecular: 171.670 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 171.081 Da
• Monoisotopic Mass: 171.081 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 95.800
• 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. Zhong Yuan, Zhang Jiangwei, Li Tingting, Xu Wenwu, Yao Qiaofeng, Lu Min, Bai Xue, Wu Zhennan, Xie Jianping, Zhang Yu.  (2023)  Suppression of kernel vibrations by layer-by-layer ligand engineering boosts photoluminescence efficiency of gold nanoclusters.  Nature Communications,  14  (1): (1-12).  [PMID:36746958] [10.1038/s41467-023-36387-2]

2. Jian-Ru Li, Cun-Ying Xu, Jing-Ling Lu, Shu-Xian Wang, Xiao Chen, Qin-Qin Xiang, Yi-Xin Hua.  (2022)  Electrochemical Study of the Electrodeposition of a Dense Nanocrystalline Fe Film from Fe(II) Ions Dissolved in an Ionic Liquid.  JOURNAL OF THE ELECTROCHEMICAL SOCIETY,  169  (9): (092522).  [PMID:] [10.1149/1945-7111/ac9342]

3. Yaqing Wang, Wenjun Chen, Qi Zhao, Guizhen Jin, Zhimin Xue, Yingxiong Wang, Tiancheng Mu.  (2020)  Ionicity of deep eutectic solvents by Walden plot and pulsed field gradient nuclear magnetic resonance (PFG-NMR).  PHYSICAL CHEMISTRY CHEMICAL PHYSICS,  22  (44): (25760-25768).  [PMID:33147302] [10.1039/D0CP01431A]

4. Jianru Li, Cunying Xu, Guilin Xiang, Wenkang Chen, Daiyun Gu, Qibo Zhang, Yixin Hua, Yan Li.  (2024)  TMPAC-EG deep eutectic solvent for sustainable recovery of Nd by electrodeposition.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2024.144817]