Trimethylphenylammonium bromide - ≥98% , CAS No.16056-11-4

CAS: 16056-11-4 Cat. No.: T101041 Molecular Weight: 216.12 Beilstein Registry Number: 3917006 EC Number: 240-202-8 PubChem CID: 27663

GRADE & PURITY ≥98%

Synonyms

Trimethylphenylammonium bromide | N,N,N-Trimethylanilinium bromide | Phenyltrimethylammonium bromide | SCHEMBL238552 | N,N,N-Trimethylbenzenaminium bromide | trimethyl(phenyl)ammonium bromide | Q63393463 | N-Phenyl-N,N,N-trimethylammonium bromide | MFCD00

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Trimethylphenylammonium bromide | N, N, N-Trimethylanilinium bromide | Phenyltrimethylammonium bromide | SCHEMBL238552 | N, N, N-Trimethylbenzenaminium bromide | trimethyl(phenyl)ammonium bromide | Q63393463 | N-Phenyl-N, N, N-trimethylammonium bromide | MFCD00

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753364
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753364
• Canonical Smiles: C[N+](C)(C)C1=CC=CC=C1.[Br-]
• IUPAC Name: trimethyl(phenyl)azanium;bromide
• InChIKey: GNMJFQWRASXXMS-UHFFFAOYSA-M
• INCHI: 1S/C9H14N.BrH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
• Isomeric SMILES: C[N+](C)(C)C1=CC=CC=C1.[Br-]
• WGK Germany: 3
• RTECS: BT2100000
• PubChem CID: 27663
• Molecular Weight: 216.12
• Beilstein: 3917006
• Reaxy-Rn: 3917006

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 bromide 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 bromide salt - Organic salt - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Melt Point(°C): 215°C
• Molecular Weight: 216.120 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 215.031 Da
• Monoisotopic Mass: 215.031 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

References

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2. Chunjie Huang, Zhenghao Liu, Shiyu Jiang, Xiangjin Du, Chengyu Tan, Xinru Qin, Yuqi Cui, Rui Zhang, Yiming Li, Fubo Tian, Jiangjian Shi, Huijue Wu, Yanhong Luo, Dongmei Li, Qingbo Meng.  (2025)  Buried Interface Modification for Efficient FAPbI3 Perovskite Modules by Full Blade-Coating Process.  Advanced Energy Materials,      [PMID:] [10.1002/aenm.202501227]

3. Zi-Lin He, Jian-Bin Luo, Jing-Hua Chen, Jun-Hua Wei, Xiao-He Miao, Zhi-Zhong Zhang, Qing-Peng Peng, Xiu-Xian Guo, Dai-Bin Kuang.  (2025)  A universal strategy toward two-component organic-inorganic metal halide luminescent glasses and glass-crystal composites.  Science Advances,  11  (22):   [PMID:40435246] [10.1126/sciadv.adu1982]

4. Yabin Ma, Chao Luo, Changling Zhan, Keli Wang, Jiandong He, Peng Gao, Zhuye Bi, Yingzhuang Ma, Qing Zhao.  (2025)  Crystallization-activated moisture barrier for high-tolerance manufacturing of perovskite solar cells.  Science Advances,  11  (43):   [PMID:41134895] [10.1126/sciadv.ady5703]