Tetrabutylammonium Triiodide - ≥96% , CAS No.13311-45-0

CAS: 13311-45-0 Cat. No.: T162055 Molecular Weight: 623.18 Beilstein Registry Number: 3743190 EC Number: 672-594-5 PubChem CID: 16218639

GRADE & PURITY ≥96%

Synonyms

tetra-n-butylammonium triiodide | AKOS027250834 | Tetrabutylammonium Triiodide, >/=96% | MFCD00059123 | SCHEMBL987328 | Tetrabutylammonium triiodide | Tetrabutylammonium triiodide, >=97.0% (AT) | BS-15062 | Tetrabutylammoniumtriiodide | D83000 | HY-W09979

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

application：

Tetrabutylammonium triiodide  is an antibiotic compound due to its ability to solvate triiodide molecules in water, as well as due to the solid surface of polyiodide particles.

Specifications

Synonyms

tetra-n-butylammonium triiodide | AKOS027250834 | Tetrabutylammonium Triiodide, >/=96% | MFCD00059123 | SCHEMBL987328 | Tetrabutylammonium triiodide | Tetrabutylammonium triiodide, >=97.0% (AT) | BS-15062 | Tetrabutylammoniumtriiodide | D83000 | HY-W09979

Specifications & Purity

≥96%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504768362
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768362
• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.I[I-]I
• IUPAC Name: tetrabutylazanium;triiodide
• InChIKey: SBSSZSCMFDYICE-UHFFFAOYSA-N
• INCHI: 1S/C16H36N.I3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-2/h5-16H2,1-4H3;/q+1;-1
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.I[I-]I
• WGK Germany: 3
• PubChem CID: 16218639
• Molecular Weight: 623.18
• Beilstein: 3743190
• Reaxy-Rn: 3578617

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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: Light sensitive
• Melt Point(°C): 71 °C
• Molecular Weight: 623.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 622.998 Da
• Monoisotopic Mass: 622.998 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 116.000
• 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

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