Barium carbonate - ACS , CAS No.513-77-9

CAS: 513-77-9 Cat. No.: B112366 Formula: BaCO₃ Molecular Weight: 197.34 Beilstein Registry Number: 7045119 EC Number: 208-167-3

GRADE & PURITY ACS

Synonyms

Bariumcarbonate | BARYTA CARBONICA 30C | DTXSID1029623 | Barium carbonate13C | barium(2+) carbonate | Baryta Carbonica | Kohlensaure-bariumsalz | NSC-83508 | Kohlensaures baryt | BW-C3 | Q409224 | AYJRCSIUFZENHW-UHFFFAOYSA-L | Carbonato di bario, naturale

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Barium carbonate (BaCO3) is an important alkaline-earth metal material in the production of barium salts, barium ferrite, pigments, ceramics, optical glass, and electric condensers. Additionally, it serves as a precursor to produce superconductors and ceramic materials.

Specifications

Synonyms

Bariumcarbonate | BARYTA CARBONICA 30C | DTXSID1029623 | Barium carbonate13C | barium(2+) carbonate | Baryta Carbonica | Kohlensaure-bariumsalz | NSC-83508 | Kohlensaures baryt | BW-C3 | Q409224 | AYJRCSIUFZENHW-UHFFFAOYSA-L | Carbonato di bario, naturale

Specifications & Purity

ACS

Storage

Room temperature,Argon charged

Shipped In

Normal

Grade

ACS

Names and Identifiers

Pubchem Sid

508815632

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508815632

Canonical Smiles

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

IUPAC Name

barium(2+);carbonate

InChIKey

AYJRCSIUFZENHW-UHFFFAOYSA-L

INCHI

1S/CH2O3.Ba/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2

Isomeric SMILES

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

RTECS

CQ8600000

Molecular Weight

197.34

Beilstein

7045119

Reaxy-Rn

7045119

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7045119&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Organic carbonic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Organic carbonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids
• Alternative Parents: Carbonate salts Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonate salt - Carbonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.
• 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: 197.340 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 197.89 Da
• Monoisotopic Mass: 197.89 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 18.800
• 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