Phenethylammonium bromide - ≥99.5%(4 times recrystallized) , CAS No.53916-94-2

CAS: 53916-94-2 Cat. No.: P290339 Peso molecular: 202.09 Número EC: 811-843-6 PubChem CID: 70441016

GRADE & PURITY ≥99.5%(4 times recrystallized)

Synonyms

2-phenylethanamine;hydrobromide | 637STW7LE3 | 2-PHENYLETHYLAMINE HBR | 2-Phenylethylamine hydrobromide | T72591 | Benzeneethanamine hydrobromide (1:1) | MFCD29089369 | phenethylammonium bromide | Benzeneethanamine hydrobromide | phenethylamine hydrobromi

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Descripción general

Application：

Organohalide based perovskites have emerged as an important class of material for solar cell applications.Our perovskites precursors are useful for synthesizing mixed cation or anion perovskites needed for the optimization of the band gap, carrier diffusion length and power conversion efficiency of perovskites based solar cells.

Specifications

Sinónimos

2-phenylethanamine;hydrobromide | 637STW7LE3 | 2-PHENYLETHYLAMINE HBR | 2-Phenylethylamine hydrobromide | T72591 | Benzeneethanamine hydrobromide (1:1) | MFCD29089369 | phenethylammonium bromide | Benzeneethanamine hydrobromide | phenethylamine hydrobromi

Especificaciones y pureza

≥99.5%(4 times recrystallized)

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99.5%(4 times recrystallized)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)CCN.Br
• IUPAC Name: 2-phenylethanamine;hydrobromide
• InChIKey: IRAGENYJMTVCCV-UHFFFAOYSA-N
• INCHI: 1S/C8H11N.BrH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
• Isómeros SMILES: C1=CC=C(C=C1)CCN.Br
• PubChem CID: 70441016
• Peso molecular: 202.09

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Aralkylamines Quaternary ammonium salts Organic bromide salts Monoalkylamines Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - Aralkylamine - Quaternary ammonium salt - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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

• Sensibilidad: Air sensitive;light sensitive;Moisture sensitive
• Peso molecular: 202.090 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 201.015 Da
• Monoisotopic Mass: 201.015 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 65.000
• 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. Pengpeng Cheng, Zehan Liu, Ruyan Kang, Jian Zhou, Jia Zhao, Zhiyuan Zuo.  (2022)  Atmospheric All-Solution-Processed Perovskite Light-Emitting Diodes.  Physica Status Solidi-Rapid Research Letters,  17  (1): (2200295).  [PMID:] [10.1002/pssr.202200295]

2. Xiao Hongbin, Cui Enhao, Wang Junfang, Liu Tianhua, Wei Xiaofang, Huang Junjie, Abdel-Shakour Muhammad, Li Jie, Wang Chunru, Zhu Zonglong, Meng Xiangyue.  (2026)  Interfacial engineering via dipolar fullerene derivative for efficient tin halide perovskite indoor photovoltaics.  Nature Communications,      [PMID:41565676] [10.1038/s41467-026-68719-3]

3. Xue Jiang, Zhentao Du, Xiaoming Mo, Sheng Cao, Jinju Zheng, Bingsuo Zou, Jialong Zhao.  (2026)  Facile Synthesis of Large-Scale Two-Dimensional Perovskite Microplates for High-Performance UV Photodetectors.  ACS Applied Materials & Interfaces,      [PMID:41621075] [10.1021/acsami.5c22518]