Triclosan-d3 - ≥97 atom% D,≥98% , CAS No.1020719-98-5

CAS: 1020719-98-5 Cat. No.: T334637 Summenformel: C₁₂H₄D₃Cl₃O₂ Molekulargewicht: 292.56 PubChem CID: 45040608

GRADE & PURITY ≥97 atom% D,≥98%

Synonyms

2'-Hydroxy-2,4,4'-trichlorodiphenyl-d3 Ether | HY-B1119S | F91402 | 1020719-98-5 | 5-chloro-2-[2,4-dichloro(3,5,6-?H?)phenoxy]phenol | Triclosan D3 (2,4-dichlorophenoxy D3); 5-Chloro-2-(4,6-dichlorophenoxy-2,3,5-d3)-phenol | J-000618 | 5-Chloro-2-{[2,4-di

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Triclosan-d3 is an antiseptic and disinfectant. The compound is also a bacteriostat and preservative for cosmetic and detergent compositions.

Specifications

Synonyme

2'-Hydroxy-2,4,4'-trichlorodiphenyl-d3 Ether | HY-B1119S | F91402 | 1020719-98-5 | 5-chloro-2-[2,4-dichloro(3,5,6-?H?)phenoxy]phenol | Triclosan D3 (2,4-dichlorophenoxy D3); 5-Chloro-2-(4,6-dichlorophenoxy-2,3,5-d3)-phenol | J-000618 | 5-Chloro-2-{[2,4-di

Spezifikationen & Reinheit

≥97 atom% D,≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97 atom% D,≥98%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl

IUPAC Name

5-chloro-2-(2,4-dichloro-3,5,6-trideuteriophenoxy)phenol

InChIKey

XEFQLINVKFYRCS-UXHGNOADSA-N

INCHI

1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H/i1D,3D,5D

Isomere SMILES

[2H]C1=C(C(=C(C(=C1OC2=C(C=C(C=C2)Cl)O)Cl)[2H])Cl)[2H]

Alternative CAS-Nummer

3380-34-5

PubChem CID

45040608

UN-Nummer

3077

Verpackungsgruppe

III

Molekulargewicht

292.56

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 Phenol ethers M-chlorophenols Dichlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - 1,3-dichlorobenzene - 3-chlorophenol - 3-halophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
• Molekulargewicht: 292.600 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 290.97 Da
• Monoisotopic Mass: 290.97 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 252.000
• Isotope Atom Count: 3
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is isotopically enriched to ≥97 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1020719-98-5, the molecular formula is C12H4D3Cl3O2, and the molecular weight is 292.56 g/mol. InChIKey XEFQLINVKFYRCS-UXHGNOADSA-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.