3-Chloro-4-hydroxybenzaldehyde - ≥97%(GC) , CAS No.2420-16-8

CAS: 2420-16-8 Cat. No.: C133077 Peso molecular: 156.57 Beilstein Registry Number: 8(4)296 Número EC: 607-340-4

GRADE & PURITY ≥97%(GC)

Synonyms

AM20060567 | SY009040 | FT-0615405 | SCHEMBL115626 | NCIOpen2_001178 | 3-Chloro-4-hydroxybenzaldehyde, 97% | BB 0217651 | J-015394 | 3-Chloro-4-hydroxy benzaldehyde | InChI=1/C7H5ClO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H | VGSOCYWCRMXQAB-UHFFFAOYSA- | NCGC003

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AM20060567 | SY009040 | FT-0615405 | SCHEMBL115626 | NCIOpen2_001178 | 3-Chloro-4-hydroxybenzaldehyde, 97% | BB 0217651 | J-015394 | 3-Chloro-4-hydroxy benzaldehyde | InChI=1/C7H5ClO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4, 10H | VGSOCYWCRMXQAB-UHFFFAOYSA- | NCGC003

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488182329
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182329
• Sonrisas canónicas: C1=CC(=C(C=C1C=O)Cl)O
• IUPAC Name: 3-chloro-4-hydroxybenzaldehyde
• InChIKey: VGSOCYWCRMXQAB-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
• Isómeros SMILES: C1=CC(=C(C=C1C=O)Cl)O
• WGK Alemania: 3
• Peso molecular: 156.57
• Beilstein: 8(4)296
• Reaxy-Rn: 1930336
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1930336&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 Benzoyl derivatives Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 2-halophenol - 2-chlorophenol - Phenol - Halobenzene - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - 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

• Sensibilidad: Air Sensitive
• Punto de ebullición (°C): 150 °C/14 mmHg
• Punto de fusión (°C): 128.0~137.0 °C
• Peso molecular: 156.560 g/mol
• XLogP3: 1.900
• 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