3-[(2,4-Dichlorophenyl)methyl]-2,4-dihydroxybenzaldehyde , CAS No.338402-25-8

CAS: 338402-25-8 Cat. No.: D932933 Fórmula: C₁₄H₁₀Cl₂O₃ Peso molecular: 297.14 PubChem CID: 3739213

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

Sonrisas canónicas

C1=CC(=C(C=C1Cl)Cl)CC2=C(C=CC(=C2O)C=O)O

IUPAC Name

3-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxybenzaldehyde

InChIKey

IPSPQCYVIYGWQO-UHFFFAOYSA-N

INCHI

1S/C14H10Cl2O3/c15-10-3-1-8(12(16)6-10)5-11-13(18)4-2-9(7-17)14(11)19/h1-4,6-7,18-19H,5H2

Isómeros SMILES

C1=CC(=C(C=C1Cl)Cl)CC2=C(C=CC(=C2O)C=O)O

PubChem CID

3739213

Peso molecular

297.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Hydroxybenzaldehydes Resorcinols Dichlorobenzenes Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Hydroxybenzaldehyde - Benzaldehyde - Benzoyl - Resorcinol - 1,3-dichlorobenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aryl-aldehyde - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous acid - Organochloride - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Propiedades químicas y físicas

• Peso molecular: 297.100 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 296.001 Da
• Monoisotopic Mass: 296.001 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 313.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

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

The CAS Number is 338402-25-8, the molecular formula is C14H10Cl2O3, and the molecular weight is 297.14 g/mol. InChIKey IPSPQCYVIYGWQO-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.