2,4,6-Trichlorophenol - analytical standard , CAS No.88-06-2

CAS: 88-06-2 Cat. No.: T108938 Summenformel: C₆H₃Cl₃O Molekulargewicht: 197.45 Beilstein Registry Number: 776729 EG-Nummer: 201-795-9

QUALITÄT & REINHEIT Analytical standard

Synonyms

Dowicide 2S|2,6-Trichlorophenol|Phenachlor|2,4,6,-trichlorophenol|RCRA waste number U231|2,4,6-TRICHLOROPHENOL [IARC]|1,5-Trichlorophenol|Dowcide 2S|2,4,6-TCP|2,4,6-TRICHLOROPHENOL [MI]|OMAL|2,4,6-Trichlorfenol|BTS 45 186 (2,4,6-trichlorophenol)|2,4,6 T|2,4,6-Trichlorfenol [Czech]|2,4,6-Trichlorophenol (2,4,6-TriCP)|2,4,6-Trichlorophenol-13C6|Trichloro-2-hydroxybenzene, 2,4,6-Trichlorophenol|Phenol, 2,4,6-trichloro-|RCRA waste no. U231|2,4,6 trichlorophenol|Trichloro-2-hydroxybenzene|Phenaclor|2,4,6-trichloro-1-hydroxybenzene|2,4,6-TRICHLOROPHENOL|2,4,6-trichloro-phenol|2,4,6-TRICHLOROPHENOL [HSDB]|Trichlorophenol, 2,4,6-|2,4,6-trichlorphenol

Storage

Room temperature

Shipped In

FedEx DG Service

Spezifikationen

Synonyme

Dowicide 2S | 2,6-Trichlorophenol | Phenachlor | 2,4,6,-trichlorophenol | RCRA waste number U231 | 2,4,6-TRICHLOROPHENOL [IARC] | 1,5-Trichlorophenol | Dowcide 2S | 2,4,6-TCP | 2,4,6-TRICHLOROPHENOL [MI] | OMAL | 2,4,6-Trichlorfenol | BTS 45 186 (2,4,6-trichlorophenol) | 2,4,6 T | 2,4,6-Trichlorfenol [Czech] | 2,4,6-Trichlorophenol (2,4,6 Show more

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Analytischer Standard

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

RTECS

SN1575000

UN-Nummer

3077

Verpackungsgruppe

III

Molekulargewicht

197.45

Beilstein

776729

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Chlorophenols
          • Ebene6 P-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 120°C/39mmHg
• Schmelzpunkt (°C): 67°C
• Molekulargewicht: 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