5-Chlorosalicylaldehyde - ≥98% , CAS No.635-93-8

CAS: 635-93-8 Cat. No.: C109465 Molecular Weight: 156.57 Beilstein Registry Number: 8(2)45 EC Number: 211-244-4

GRADE & PURITY ≥98%

Synonyms

5-Chloro-2-hydroxybenzaldehyde | 5-Chloro2-Hydroxybenzaldehyde | BDBM111028 | 4GCC8ZKM3O | F2191-0153 | Q27259564 | 5-Chlorosalicyaldehyde | STR01596 | 5-chloro-2-hydroxy benzaldehyde | STK199255 | NCGC00340461-01 | 3-chloro-6-hydroxybenzaldehyde | Benzal

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

5-Chlorosalicyaldehyde is a useful synthetic intermediate and a key precursor to a variety chelating agents. 5-Chlorosalicyaldehyde is used to synthesize imine resveratrol derivatives.
A useful synthetic intermediate

Specifications

Synonyms

5-Chloro-2-hydroxybenzaldehyde | 5-Chloro2-Hydroxybenzaldehyde | BDBM111028 | 4GCC8ZKM3O | F2191-0153 | Q27259564 | 5-Chlorosalicyaldehyde | STR01596 | 5-chloro-2-hydroxy benzaldehyde | STK199255 | NCGC00340461-01 | 3-chloro-6-hydroxybenzaldehyde | Benzal

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752353
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752353
• Canonical Smiles: C1=CC(=C(C=C1Cl)C=O)O
• IUPAC Name: 5-chloro-2-hydroxybenzaldehyde
• InChIKey: FUGKCSRLAQKUHG-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
• Isomeric SMILES: C1=CC(=C(C=C1Cl)C=O)O
• WGK Germany: 3
• RTECS: VN5450000
• Molecular Weight: 156.57
• Beilstein: 8(2)45
• Reaxy-Rn: 636632
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636632&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: P-chlorophenols Benzoyl derivatives Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - 4-chlorophenol - Benzoyl - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Organochloride - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 102-103°C
• Molecular Weight: 156.560 g/mol
• XLogP3: 2.400
• 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

References

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