2-Hydroxyethyl(trimethyl)arsanium;bromide - ≥95% , CAS No.71802-31-8

CAS: 71802-31-8 Cat. No.: H927014 Formula: C₅H₁₄AsBrO Molecular Weight: 244.99 EC Number: 687-965-7 PubChem CID: 153366

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C[As+](C)(C)CCO.[Br-]
• IUPAC Name: 2-hydroxyethyl(trimethyl)arsanium;bromide
• InChIKey: ROAOPYVPUIYJGC-UHFFFAOYSA-M
• INCHI: 1S/C5H14AsO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
• Isomeric SMILES: C[As+](C)(C)CCO.[Br-]
• PubChem CID: 153366
• Molecular Weight: 244.99

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organoarsenic compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organoarsenic compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraorganoarsonium salts
• Alternative Parents: Oxygen-containing organoarsenic compounds Organic metalloid salts Primary alcohols Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraorganoarsonium salt - Oxygen-containing organoarsenic compound - Organic metalloid salt - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraorganoarsonium salts. These are organoarsenic compounds, where the arsenic atom is tetrasubstituted by organic groups. They have the general structure R4[As+]X-, X=any atom but H.
• 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

• Molecular Weight: 244.990 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 243.944 Da
• Monoisotopic Mass: 243.944 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.500
• 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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