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

CAS: 88-06-2 Cat. No.: T108937 分子式: C₆H₃Cl₃O 分子量: 197.45 Beilstein Registry Number: 776729 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

FedEx DG Service

純度

≥98%

名前と識別子

パブケム・シド

504751199

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

RTECS

SN1575000

UN番号

3077

包装グループ

III

分子量

197.45

Beilstein

776729

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water; Degree of Solubility in water: 800 mg/l 25 °C; Soluble in Alcohol,Toluene,Benzene,Ether,Acetone
• 沸点（°C）: 120°C/39mmHg
• 融点（°C）: 67°C
• 分子量: 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