2,4-Dichloro-3-hydroxybenzaldehyde - ≥95% , CAS No.56962-13-1

CAS: 56962-13-1 Cat. No.: D193995 Fórmula: C₇H₄Cl₂O₂ Peso molecular: 191.01

CALIDAD & PUREZA ≥95%

Synonyms

SCHEMBL1922418 | 3-hydroxy-2,4-dichlorobenzaldehyde | CHLOROMETHYL4-PENTENYLETHER | AM83219 | MFCD22199563 | WJGVQZPOZRUELJ-UHFFFAOYSA-N | 2,4-dichloro-3-hydroxybenzaldehyde | 2,4-Dichloro-3-hydroxy-benzaldehyde | DTXSID10608091 | CL9039 | DS-17424 | A869

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

SCHEMBL1922418 | 3-hydroxy-2,4-dichlorobenzaldehyde | CHLOROMETHYL4-PENTENYLETHER | AM83219 | MFCD22199563 | WJGVQZPOZRUELJ-UHFFFAOYSA-N | 2,4-dichloro-3-hydroxybenzaldehyde | 2,4-Dichloro-3-hydroxy-benzaldehyde | DTXSID10608091 | CL9039 | DS-17424 | A869

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

C1=CC(=C(C(=C1C=O)Cl)O)Cl

IUPAC Name

2,4-dichloro-3-hydroxybenzaldehyde

InChIKey

WJGVQZPOZRUELJ-UHFFFAOYSA-N

INCHI

1S/C7H4Cl2O2/c8-5-2-1-4(3-10)6(9)7(5)11/h1-3,11H

Isómeros SMILES

C1=CC(=C(C(=C1C=O)Cl)O)Cl

Peso molecular

191.01

Reaxy-Rn

3249613

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3249613&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: O-chlorophenols Dichlorobenzenes Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 1,3-dichlorobenzene - 2-halophenol - 2-chlorophenol - Phenol - Halobenzene - Chlorobenzene - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous halide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl 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

Propiedades químicas y físicas

• Peso molecular: 191.010 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.959 Da
• Monoisotopic Mass: 189.959 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 56962-13-1, the molecular formula is C7H4Cl2O2, and the molecular weight is 191.01 g/mol. InChIKey WJGVQZPOZRUELJ-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.