2,6-Dichloro-3-methylphenol - ≥96% , CAS No.13481-70-4

CAS: 13481-70-4 Cat. No.: D1068964 EG-Nummer: 236-785-3 PubChem CID: 83521

QUALITÄT & REINHEIT ≥96%

Storage

Room temperature

Spezifikationen

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Reinheit

≥96%

Namen und Kennungen

Kanonisches Lächeln

CC1=C(C(=C(C=C1)Cl)O)Cl

IUPAC Name

2,6-dichloro-3-methylphenol

InChIKey

SXHLRMKATYCFRY-UHFFFAOYSA-N

INCHI

1S/C7H6Cl2O/c1-4-2-3-5(8)7(10)6(4)9/h2-3,10H,1H3

Isomere SMILES

CC1=C(C(=C(C=C1)Cl)O)Cl

Alternative CAS-Nummer

13481-70-4

PubChem CID

83521

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: O-chlorophenols Meta cresols Toluenes 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-chlorophenol - M-cresol - 2-halophenol - 1,3-dichlorobenzene - 1-hydroxy-4-unsubstituted benzenoid - Toluene - Phenol - 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 dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• Molekulargewicht: 177.020 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 175.98 Da
• Monoisotopic Mass: 175.98 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 118.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 13481-70-4. InChIKey SXHLRMKATYCFRY-UHFFFAOYSA-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.