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

CAS: 3784-03-0 Cat. No.: T404990 Molecular Weight: 219.42 EC Number: 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

Argon charged,Room temperature

Shipped In

Normal

Specifications

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

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488200506
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200506
• Canonical Smiles: 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
• Isomeric SMILES: C1=C(C=C(C(=C1Cl)[O-])Cl)Cl.[Na+]
• PubChem CID: 23678873
• UN Number: 2811
• Packing Group: III
• Molecular Weight: 219.42
• Reaxy-Rn: 3753696

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: moisture sensitive
• Molecular Weight: 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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