Guanidinium iodide - anhydrous, ≥99% , CAS No.19227-70-4

CAS: 19227-70-4 Cat. No.: G432266 Molecular Weight: 186.98 EC Number: 606-268-0

GRADE & PURITY Anhydrous Grade, ≥99%

Synonyms

G0450 | guanidine;hydroiodide | guanidinium iodide | Guanidine Hydroiodide | guanidine hydro-iodide | MFCD03094063 | SY117099 | D90769

Storage

Room temperature

Overview

Application

Organohalide based perovskites have emerged as an important class of material for solar cell applications. Our perovskites precursors with extremely low water contents 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. Extremely hygroscopic. Handle in glove box. Handle and store under nitrogen atmosphere Guanidinium iodide (GI), a guanidinium compound, exhibits good piezoelectric and pyroelectric properties. It can be used in the fabrication of dye-sensitized solar cells (DSSCs).

Specifications

Synonyms

G0450 | guanidine;hydroiodide | guanidinium iodide | Guanidine Hydroiodide | guanidine hydro-iodide | MFCD03094063 | SY117099 | D90769

Specifications & Purity

anhydrous, ≥99%

Storage

Room temperature

Grade

Anhydrous Grade

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C(=N)(N)N.I
• IUPAC Name: guanidine;hydroiodide
• InChIKey: UUDRLGYROXTISK-UHFFFAOYSA-N
• INCHI: 1S/CH5N3.HI/c2-1(3)4;/h(H5,2,3,4);1H
• Isomeric SMILES: C(=N)(N)N.I
• Molecular Weight: 186.98
• Reaxy-Rn: 3907509
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3907509&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Guanidines
• Alternative Parents: Carboximidamides Imines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Guanidine - Carboximidamide - Hydrocarbon derivative - Imine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.
• 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

• Melt Point(°C): 194-199°C
• Molecular Weight: 186.980 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 186.961 Da
• Monoisotopic Mass: 186.961 Da
• Topological Polar Surface Area: 75.900 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 26.300
• 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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