Barium sulfate - AR , CAS No.7727-43-7

CAS: 7727-43-7 Cat. No.: B112373 Formula: BaSO₄ Molecular Weight: 233.39 EC Number: 231-784-4

GRADE & PURITY AR

Synonyms

Colonatrast | Raybar | Barocat | Esophotrast | Mixobar | Baritop 100 | E-Z Preparations | Gastropaque-S | Unit-Pak | Baridol | Barium 100 | Barobag | Baryum (sulfate de) | Liquibarine | Gel-Unix | Baraflave | HiTone | Intropaque | Baryx Colloidal | Liquid

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Colonatrast | Raybar | Barocat | Esophotrast | Mixobar | Baritop 100 | E-Z Preparations | Gastropaque-S | Unit-Pak | Baridol | Barium 100 | Barobag | Baryum (sulfate de) | Liquibarine | Gel-Unix | Baraflave | HiTone | Intropaque | Baryx Colloidal | Liquid

Specifications & Purity

AR

Storage

Room temperature

Shipped In

Normal

Grade

AR

Names and Identifiers

Pubchem Sid

508815365

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508815365

Canonical Smiles

[O-]S(=O)(=O)[O-].[Ba+2]

IUPAC Name

barium(2+);sulfate

InChIKey

TZCXTZWJZNENPQ-UHFFFAOYSA-L

INCHI

1S/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2

Isomeric SMILES

[O-]S(=O)(=O)[O-].[Ba+2]

WGK Germany

3

RTECS

CR0600000

UN Number

1564

Packing Group

II

Molecular Weight

233.39

Reaxy-Rn

11343139

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11343139&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Alkaline earth metal oxoanionic compounds
      • Subclass Alkaline earth metal sulfates

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Alkaline earth metal oxoanionic compounds
• Subclass: Alkaline earth metal sulfates
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkaline earth metal sulfates
• Alternative Parents: Inorganic salts Inorganic oxides
• Molecular Framework: Not available
• Substituents: Alkaline earth metal sulfate - Inorganic oxide - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as alkaline earth metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.
• 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.
• Boil Point(°C): 1149°C
• Melt Point(°C): 1580°C
• Molecular Weight: 233.390 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 233.857 Da
• Monoisotopic Mass: 233.857 Da
• Topological Polar Surface Area: 88.600 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 62.200
• 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

XLogP3