2,4,6-Trichlorophenol Sodium Salt - ≥95% , CAS No.3784-03-0

CAS: 3784-03-0 Cat. No.: T404990 Fórmula: C₆H₂Cl₃NaO Peso molecular: 219.42 Número EC: 223-246-2 PubChem CID: 23678873

GRADE & PURITY ≥95%

Synonyms

Sodium 2,4,6-trichlorophenolate | UNII-OV8AOX082W | FT-0635016 | Phenol, 2,4,6-trichloro-, sodium salt | A873999 | AS-81716 | J8.253H | D92332 | T0392 | 2,4,6-trichlorophenol, sodium salt | Trichlorophenolsodiumsalt | W-106510 | SCHEMBL2125237 | DTXSID204

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

Sodium 2,4,6-trichlorophenolate | UNII-OV8AOX082W | FT-0635016 | Phenol, 2,4,6-trichloro-, sodium salt | A873999 | AS-81716 | J8.253H | D92332 | T0392 | 2,4,6-trichlorophenol, sodium salt | Trichlorophenolsodiumsalt | W-106510 | SCHEMBL2125237 | DTXSID204

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

488200506

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200506

Sonrisas canónicas

C1=C(C=C(C(=C1Cl)[O-])Cl)Cl.[Na+]

IUPAC Name

sodium;2,4,6-trichlorophenolate

InChIKey

MWWVVWIHGYXNNR-UHFFFAOYSA-M

INCHI

1S/C6H3Cl3O.Na/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;/q;+1/p-1

Isómeros SMILES

C1=C(C=C(C(=C1Cl)[O-])Cl)Cl.[Na+]

PubChem CID

23678873

Número ONU

2811

Grupo de embalaje

III

Peso molecular

219.42

Reaxy-Rn

3753696

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Phenoxides Aryl chlorides Organic metal halides Organooxygen compounds Organochlorides Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Phenoxide - Aryl chloride - Aryl halide - Organic metal halide - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Organic salt - Organic sodium salt - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: moisture sensitive
• Peso molecular: 219.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 217.907 Da
• Monoisotopic Mass: 217.907 Da
• Topological Polar Surface Area: 23.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 112.000
• 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: 2

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