Triclosan Methyl Ether - analytical standard, for environmental analysis , CAS No.4640-01-1

CAS: 4640-01-1 Cat. No.: T134168 Summenformel: C₁₃H₉Cl₃O₂ Molekulargewicht: 303.57 EG-Nummer: 634-883-4 PubChem CID: 627458

GRADE & PURITY Analytical standard, for environmental analysis

Synonyms

BRD-K62328564-001-01-1 | 4-Chloro-1-(2,4-dichlorophenoxy)-2-methoxybenzene # | CAS-4640-01-1 | Triclosan-methyl ether | AKOS030524102 | 2,4,4'-Trichloro-2'-methoxydiphenyl ether | C75242 | FT-0675460 | Triclosan-methyl, analytical standard | Tox21_200199

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BRD-K62328564-001-01-1 | 4-Chloro-1-(2,4-dichlorophenoxy)-2-methoxybenzene # | CAS-4640-01-1 | Triclosan-methyl ether | AKOS030524102 | 2,4,4'-Trichloro-2'-methoxydiphenyl ether | C75242 | FT-0675460 | Triclosan-methyl, analytical standard | Tox21_200199

Spezifikationen & Reinheit

analytical standard, for environmental analysis

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid

528769102

Kanonisches Lächeln

COC1=C(C=CC(=C1)Cl)OC2=C(C=C(C=C2)Cl)Cl

IUPAC Name

2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene

InChIKey

NLYDHBBTVWMLFD-UHFFFAOYSA-N

INCHI

1S/C13H9Cl3O2/c1-17-13-7-9(15)3-5-12(13)18-11-4-2-8(14)6-10(11)16/h2-7H,1H3

Isomere SMILES

COC1=C(C=CC(=C1)Cl)OC2=C(C=C(C=C2)Cl)Cl

WGK Deutschland

3

PubChem CID

627458

Molekulargewicht

303.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Methoxybenzenes Dichlorobenzenes Anisoles Alkyl aryl ethers Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 303.600 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 301.967 Da
• Monoisotopic Mass: 301.967 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 265.000
• 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