Bromine - 1,4-Dioxane Complex - ≥95% , CAS No.15481-39-7

CAS: 15481-39-7 Cat. No.: B355152 Molecular Weight: 247.91 EC Number: 678-165-9 PubChem CID: 255279

GRADE & PURITY ≥95%

Synonyms

Dioxane dibromide | NSC80646 | NSC-80646 | MFCD00034818 | 1,4-dioxane;molecular bromine | 1,4-dioxane; dibromine | D88955 | Dioxane bromonium bromide | Bromine--1,4-dioxane (1/1) | BS-44070 | DTXSID50935070 | 1,4-Diethylene dioxide dibromide | B2719 | 1,4

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Dioxane dibromide | NSC80646 | NSC-80646 | MFCD00034818 | 1, 4-dioxane;molecular bromine | 1, 4-dioxane; dibromine | D88955 | Dioxane bromonium bromide | Bromine--1, 4-dioxane (1/1) | BS-44070 | DTXSID50935070 | 1, 4-Diethylene dioxide dibromide | B2719 | 1, 4

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1COCCO1.BrBr
• IUPAC Name: 1,4-dioxane;molecular bromine
• InChIKey: DTLTUUJDCNTTSN-UHFFFAOYSA-N
• INCHI: 1S/C4H8O2.Br2/c1-2-6-4-3-5-1;1-2/h1-4H2
• Isomeric SMILES: C1COCCO1.BrBr
• PubChem CID: 255279
• Molecular Weight: 247.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxanes
• Subclass: 1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Para-dioxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
• 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: souble in Methanol
• Sensitivity: heat sensitive
• Boil Point(°C): 95 °C
• Melt Point(°C): 68 °C
• Molecular Weight: 247.910 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 247.887 Da
• Monoisotopic Mass: 245.889 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 26.500
• 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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