Phosphorus oxybromide - ≥94% , CAS No.7789-59-5

CAS: 7789-59-5 Cat. No.: P140822 Formula: Br₃OP Molecular Weight: 286.69 EC Number: 232-177-7 PubChem CID: 24613

GRADE & PURITY ≥94%

Synonyms

Tribromophosphorus oxide | AMY3510 | PHOSPHONYL TRIBROMIDE | UN1939 | UN-1939 | Phosphorusoxybromide | STL559007 | EINECS 232-177-7 | Phosphorus(V) oxybromide | UNII-H98H8Y87QQ | Phosphorus(V) oxybromide, >95% | PHOSPHORUS BROMIDE OXIDE (PBR3O) | DTXSID20

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads,FedEx DG Service

Overview

It may be used as brominating reagent in the synthesis of 2,4,6-tribromopyrimidine,and also used in the preparation of bromoheterocyclic compounds.

Specifications

Synonyms

Tribromophosphorus oxide | AMY3510 | PHOSPHONYL TRIBROMIDE | UN1939 | UN-1939 | Phosphorusoxybromide | STL559007 | EINECS 232-177-7 | Phosphorus(V) oxybromide | UNII-H98H8Y87QQ | Phosphorus(V) oxybromide, >95% | PHOSPHORUS BROMIDE OXIDE (PBR3O) | DTXSID20

Specifications & Purity

≥94%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads,FedEx DG Service

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

Purity

≥94%

Names and Identifiers

Pubchem Sid

528772536

Canonical Smiles

O=P(Br)(Br)Br

InChIKey

UXCDUFKZSUBXGM-UHFFFAOYSA-N

INCHI

1S/Br3OP/c1-5(2,3)4

Isomeric SMILES

O=P(Br)(Br)Br

WGK Germany

3

PubChem CID

24613

UN Number

1939

Packing Group

II

Molecular Weight

286.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Homogeneous non-metal compounds
    • Class Halogen organides
      • Subclass Halogen oxides

• Kingdom: Inorganic compounds
• Superclass: Homogeneous non-metal compounds
• Class: Halogen organides
• Subclass: Halogen oxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Halogen oxides
• Alternative Parents: Inorganic oxides
• Molecular Framework: Not available
• Substituents: Halogen oxide - Inorganic oxide
• Description: This compound belongs to the class of inorganic compounds known as halogen oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a halogen.
• 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 (decomposes), ether, benzene, sulfuric acid, and chloroform.
• Sensitivity: Light sensitive.
• Boil Point(°C): 193℃
• Melt Point(°C): 56℃
• Molecular Weight: 286.690 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 285.722 Da
• Monoisotopic Mass: 283.724 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 53.000
• 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: 1