2,4,6-Trichlorophenol - ≥98% , CAS No.88-06-2

CAS: 88-06-2 Cat. No.: T108937 분자식: C₆H₃Cl₃O 분자량: 197.45 Beilstein Registry Number: 776729 EC 번호: 201-795-9

GRADE & PURITY ≥98%

Synonyms

bmse000678 | Dowicide 2S | NCGC00090873-04 | MHS8C5BAUZ | 2,4,6-Trichlorophenol 10 microg/mL in Methanol | 2,6-Trichlorophenol | BRN 0776729 | Phenachlor | T0390 | 2,4,6,-trichlorophenol | AI3-00142 | AKOS000118986 | 2,4,6-Trichlorophenol 100 microg/mL in

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

bmse000678 | Dowicide 2S | NCGC00090873-04 | MHS8C5BAUZ | 2,4,6-Trichlorophenol 10 microg/mL in Methanol | 2,6-Trichlorophenol | BRN 0776729 | Phenachlor | T0390 | 2,4,6,-trichlorophenol | AI3-00142 | AKOS000118986 | 2,4,6-Trichlorophenol 100 microg/mL in

사양 및 순도

≥98%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥98%

이름과 식별자

Pubchem Sid

504751199

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751199

정식 스마일

C1=C(C=C(C(=C1Cl)O)Cl)Cl

IUPAC Name

2,4,6-trichlorophenol

InChIKey

LINPIYWFGCPVIE-UHFFFAOYSA-N

INCHI

1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

이성체 SMILES

C1=C(C=C(C(=C1Cl)O)Cl)Cl

WGK 독일

3

RTECS

SN1575000

UN 번호

3077

포장 그룹

III

분자량

197.45

Beilstein

776729

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: P-chlorophenols
• Alternative Parents: O-chlorophenols Chlorobenzenes Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-chlorophenol - 2-chlorophenol - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: 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: trichlorophenol

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

관련 대상(인간)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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

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Skin (286 Activities)

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관련 대상(비인간)

Cruzipain (33337 Activities)

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Bacillus subtilis (32866 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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작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water; Degree of Solubility in water: 800 mg/l 25 °C; Soluble in Alcohol,Toluene,Benzene,Ether,Acetone
• 끓는점(°C): 120°C/39mmHg
• 녹는점(°C): 67°C
• 분자량: 197.400 g/mol
• XLogP3: 3.700
• 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