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

CAS: 609-19-8 Cat. No.: T589641 Fórmula: C₆H₃Cl₃O Peso molecular: 197.45 Número CE: 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

Visão geral

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

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 504752211
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752211
• Sorrisos canónicos: 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
• SMILES isoméricas: C1=C(C=C(C(=C1Cl)Cl)Cl)O
• PubChem CID: 11859
• Número UN: 2020
• Grupo de embalagem: III
• Peso molecular: 197.45

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HepG2 (196354 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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GMNN Tbio Geminin (128009 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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Alvos associados (não humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in ether, slightly soluble in water
• Ponto de fusão (°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

Referências

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]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 609-19-8, the molecular formula is C6H3Cl3O, and the molecular weight is 197.45 g/mol. InChIKey GBNHEBQXJVDXSW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.