Phenylammonium Bromide - ≥99%(4 Times Purification) , CAS No.542-11-0

CAS: 542-11-0 Cat. No.: P492994 Molecular Weight: 174.04 EC Number: 208-801-9

GRADE & PURITY ≥99%(4 Times Purification)

Synonyms

FT-0632351 | F0001-1426 | Phenylammonium bromide, >=98% | ANILINEHYDROBROMIDE | EINECS 208-801-9 | UNII-01XK3D1SXO | T71037 | ANILINE HBR | aniline hydrobromide salt | aniline bromide | DTXSID60883432 | SCHEMBL3704736 | MFCD00035465 | aniline;hydrobromide

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Product Application:

Organohalide based perovskites have emerged as an important class of material for solar cell applications.
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

Synonyms

FT-0632351 | F0001-1426 | Phenylammonium bromide, >=98% | ANILINEHYDROBROMIDE | EINECS 208-801-9 | UNII-01XK3D1SXO | T71037 | ANILINE HBR | aniline hydrobromide salt | aniline bromide | DTXSID60883432 | SCHEMBL3704736 | MFCD00035465 | aniline;hydrobromide

Specifications & Purity

≥99%(4 Times Purification)

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%(4 Times Purification)

Names and Identifiers

• Pubchem Sid: 504754279
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754279
• Canonical Smiles: C1=CC=C(C=C1)N.Br
• IUPAC Name: aniline;hydrobromide
• InChIKey: KBPWECBBZZNAIE-UHFFFAOYSA-N
• INCHI: 1S/C6H7N.BrH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
• Isomeric SMILES: C1=CC=C(C=C1)N.Br
• Molecular Weight: 174.04
• Reaxy-Rn: 3910222
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3910222&ln=

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: Primary amines Organopnictogen compounds Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Primary amine - 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

• Solubility: Soluble in MeOH，EtOH et al
• Sensitivity: Moisture sensitive；air sensitive；light sensitive
• Melt Point(°C): 285°C(dec.)(lit.)
• Molecular Weight: 174.040 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 172.984 Da
• Monoisotopic Mass: 172.984 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.100
• 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

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