Tributyl(1,3-dioxolan-2-ylmethyl)phosphonium Bromide - ≥98%(T) , CAS No.115754-62-6

CAS: 115754-62-6 Cat. No.: T162761 Molecular Weight: 369.32 EC Number: 678-328-4 PubChem CID: 22292430

GRADE & PURITY ≥98%(T)

Synonyms

1,3-dioxolan-2-ylmethyltributylphosphonium bromide | AS-71347 | SCHEMBL4770077 | ((1,3-Dioxolan-2-yl)methyl)tributylphosphonium bromide | Tributyl (1,3-dioxolan-2-ylmethyl)phosphonium bromide, 97% | C16H34BrO2P | DTXSID60624468 | SY105990 | [(1,3-Dioxolan

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1, 3-dioxolan-2-ylmethyltributylphosphonium bromide | AS-71347 | SCHEMBL4770077 | ((1, 3-Dioxolan-2-yl)methyl)tributylphosphonium bromide | Tributyl (1, 3-dioxolan-2-ylmethyl)phosphonium bromide, 97% | C16H34BrO2P | DTXSID60624468 | SY105990 | [(1, 3-Dioxolan

Specifications & Purity

≥98%(T)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: CCCC[P+](CCCC)(CCCC)CC1OCCO1.[Br-]
• IUPAC Name: tributyl(1,3-dioxolan-2-ylmethyl)phosphanium;bromide
• InChIKey: SABIECHYMHKXJI-UHFFFAOYSA-M
• INCHI: 1S/C16H34O2P.BrH/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-16-17-10-11-18-16;/h16H,4-15H2,1-3H3;1H/q+1;/p-1
• Isomeric SMILES: CCCC[P+](CCCC)(CCCC)CC1OCCO1.[Br-]
• PubChem CID: 22292430
• Molecular Weight: 369.32
• Reaxy-Rn: 5838815

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxolanes
      • Subclass 1,3-dioxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxolanes
• Subclass: 1,3-dioxolanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dioxolanes
• Alternative Parents: Tetraalkylphosphonium compounds Oxacyclic compounds Acetals Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetraalkylphosphonium compound - Meta-dioxolane - Oxacycle - Acetal - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organophosphorus compound - Organooxygen compound - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3.
• 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: Moisture sensitive
• Molecular Weight: 369.320 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 368.148 Da
• Monoisotopic Mass: 368.148 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 193.000
• 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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