3,4,5-Trichlorophenol - ≥95% , CAS No.609-19-8

CAS: 609-19-8 Cat. No.: T589641 Peso molecular: 197.45 Número EC: 210-183-0 PubChem CID: 11859

GRADE & PURITY ≥95%

Synonyms

Phenol, 3,4,5-trichloro- | 3,4,5-trichlorphenol | 3,4,5-tris(chloranyl)phenol | HSDB 6292 | WLN: QR CG DG EG | BDBM91350 | AKOS006275453 | CCRIS 6110 | SMR001307309 | Tox21_200188 | TRICHLOROPHENOL, 3,4,5- | EINECS 210-183-0 | HMS3039M04 | A928575 | DTXSI

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

Product Describtion:

3,4,5-Trichlorophenol is an environmental pollutant belonging to the class of chlorophenols. Chlorophenols are formed as metabolites of chlorinated phenoxy acid herbicides and also exist as byproducts from the chlorination of drinking water.They find applications in the production of pharmaceuticals, dyes, polymers, etc.

Product Application:

3,4,5-Trichlorophenol may be used as an analytical reference standard for the quantification of the analyte in landfill leachates and aqueous samples using gas chromatography technique.

Specifications

Sinónimos

Phenol, 3, 4, 5-trichloro- | 3, 4, 5-trichlorphenol | 3, 4, 5-tris(chloranyl)phenol | HSDB 6292 | WLN: QR CG DG EG | BDBM91350 | AKOS006275453 | CCRIS 6110 | SMR001307309 | Tox21_200188 | TRICHLOROPHENOL, 3, 4, 5- | EINECS 210-183-0 | HMS3039M04 | A928575 | DTXSI

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504752211
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752211
• Sonrisas canónicas: C1=C(C=C(C(=C1Cl)Cl)Cl)O
• IUPAC Name: 3,4,5-trichlorophenol
• InChIKey: GBNHEBQXJVDXSW-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
• Isómeros SMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)O
• PubChem CID: 11859
• Número ONU: 2020
• Grupo de embalaje: III
• Peso molecular: 197.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 P-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: P-chlorophenols
• Alternative Parents: M-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-chlorophenol - 3-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-chlorophenols. These are chlorophenols carrying a iodine at the C4 position of the benzene ring.
• 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

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ether, slightly soluble in water
• Punto de fusión (°C): 99 °C
• Peso molecular: 197.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.925 Da
• Monoisotopic Mass: 195.925 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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: 1

Referencias

1. Mei-Lan Chen, Jian-Qing Min, Mei-Qiang Cai, Sheng-Dong Pan, Mi-Cong Jin.  (2016)  Rapid analysis of six trace trichlorophenols in seawater by magnetic micro-solid-phase extraction and liquid chromatography with tandem mass spectrometry.  JOURNAL OF SEPARATION SCIENCE,  39  (12): (2396-2405).  [PMID:27121535] [10.1002/jssc.201600204]