Tetraphenylarsonium chloride hydrochloride hydrate - ≥97% , CAS No.123334-18-9

CAS: 123334-18-9 Cat. No.: T101240 Molecular Weight: 455.25 (anhydrous basis) EC Number: 621-302-4 PubChem CID: 16211271

GRADE & PURITY ≥97%

Synonyms

Tetraphenylarsonium(V) chloride hydrochloride hydrate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Tetraphenylarsonium(V) chloride hydrochloride hydrate

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199090
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199090
• Canonical Smiles: C1=CC=C(C=C1)[As+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.O.Cl.[Cl-]
• IUPAC Name: tetraphenylarsanium;chloride;hydrate;hydrochloride
• InChIKey: HRCBNZHNCWEFFR-UHFFFAOYSA-M
• INCHI: 1S/C24H20As.2ClH.H2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;;/h1-20H;2*1H;1H2/q+1;;;/p-1
• Isomeric SMILES: C1=CC=C(C=C1)[As+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.O.Cl.[Cl-]
• WGK Germany: 3
• PubChem CID: 16211271
• UN Number: 3077
• Molecular Weight: 455.25 (anhydrous basis)
• Reaxy-Rn: 5212590

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Tetraorganoarsonium salts Oxygen-containing organoarsenic compounds Organic metalloid salts Organopnictogen compounds Organic oxides Organic chloride salts Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tetraorganoarsonium salt - Monocyclic benzene moiety - Oxygen-containing organoarsenic compound - Organic metalloid salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Hydrochloride - Organic salt - Organoarsenic compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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 water
• Melt Point(°C): 211-213°C
• Molecular Weight: 473.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 472.034 Da
• Monoisotopic Mass: 472.034 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 301.000
• 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: 4

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