Barium carbonate - AR, ≥99% , CAS No.513-77-9

CAS: 513-77-9 Cat. No.: B112362 Fórmula: BaCO₃ Peso molecular: 197.34 Beilstein Registry Number: 7045119 Número CE: 208-167-3

GRADE & PURITY AR, ≥99%

Synonyms

Bariumcarbonate | BARYTA CARBONICA 30C | DTXSID1029623 | Barium carbonate13C | barium(2+) carbonate | Baryta Carbonica | Caswell No. 069 | Kohlensaure-bariumsalz | Witherite | Caswell No 069 | NSC-83508 | Kohlensaures baryt | BW-C3 | Q409224 | AYJRCSIUFZE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Bariumcarbonate | BARYTA CARBONICA 30C | DTXSID1029623 | Barium carbonate13C | barium(2+) carbonate | Baryta Carbonica | Caswell No. 069 | Kohlensaure-bariumsalz | Witherite | Caswell No 069 | NSC-83508 | Kohlensaures baryt | BW-C3 | Q409224 | AYJRCSIUFZE

Especificações e pureza

AR, ≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

AR

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

508815633

Sorrisos canónicos

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

SMILES isoméricas

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

RTECS

CQ8600000

Peso molecular

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
    • Classe Organic carbonic acids and derivatives
      • Subclass Organic carbonic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive.
• Peso molecular: 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