2-Chloro-4-hydroxybenzaldehyde - ≥97% , CAS No.56962-11-9

CAS: 56962-11-9 Cat. No.: W134215 Fórmula: ClC₆H₃(OH)CHO Peso molecular: 156.57 Número EC: 623-499-2 PubChem CID: 185363

CALIDAD & PUREZA ≥97%

Synonyms

SCHEMBL115174 | 2-Chloro-4-hydroxybenzaldehyde | 2-chloro-4-hydroxy-benzaldehyde | A831264 | BCP16836 | FT-0601206 | Benzaldehyde, 2-chloro-4-hydroxy- | GS-3327 | Z1255419357 | 2 -CHLORO-4-HYDROXYBENZALDEHYDE | DTXSID10901216 | InChI=1/C7H5ClO2/c8-7-3-6(1

Storage

Argon charged,Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

SCHEMBL115174 | 2-Chloro-4-hydroxybenzaldehyde | 2-chloro-4-hydroxy-benzaldehyde | A831264 | BCP16836 | FT-0601206 | Benzaldehyde, 2-chloro-4-hydroxy- | GS-3327 | Z1255419357 | 2 -CHLORO-4-HYDROXYBENZALDEHYDE | DTXSID10901216 | InChI=1/C7H5ClO2/c8-7-3-6(1

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504757728

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757728

Sonrisas canónicas

C1=CC(=C(C=C1O)Cl)C=O

IUPAC Name

2-chloro-4-hydroxybenzaldehyde

InChIKey

ZMOMCILMBYEGLD-UHFFFAOYSA-N

INCHI

1S/C7H5ClO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10H

Isómeros SMILES

C1=CC(=C(C=C1O)Cl)C=O

WGK Alemania

3

PubChem CID

185363

Peso molecular

156.57

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: M-chlorophenols Benzoyl derivatives Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 3-chlorophenol - 3-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Organochloride - Hydrocarbon derivative - Organic oxide - Organohalogen compound - 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

• Sensibilidad: Air sensitive
• Peso molecular: 156.560 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.998 Da
• Monoisotopic Mass: 155.998 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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