4-Chloro-2-hydroxybenzaldehyde - ≥95% , CAS No.2420-26-0

CAS: 2420-26-0 Cat. No.: C140242 Summenformel: C₇H₅ClO₂ Molekulargewicht: 156.57 EG-Nummer: 695-765-6

GRADE & PURITY ≥95%

Synonyms

4-chloro-2-hydroxy-benzaldehyde, AldrichCPR | 4-Chloro-2-hydroxybenzaldehyde | 4-Chloro-2-hydroxy-benzaldehyde | DTXSID50334246 | 4-chlorosalicylaldehyde | SCHEMBL1019524 | 2-hydroxy-4-chlorobenzaldehyde | A4998 | EN300-98543 | AB23660 | STL556943 | FT-06

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

4-chloro-2-hydroxy-benzaldehyde, AldrichCPR | 4-Chloro-2-hydroxybenzaldehyde | 4-Chloro-2-hydroxy-benzaldehyde | DTXSID50334246 | 4-chlorosalicylaldehyde | SCHEMBL1019524 | 2-hydroxy-4-chlorobenzaldehyde | A4998 | EN300-98543 | AB23660 | STL556943 | FT-06

Spezifikationen & Reinheit

≥95%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504759053
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759053
• Kanonisches Lächeln: C1=CC(=C(C=C1Cl)O)C=O
• IUPAC Name: 4-chloro-2-hydroxybenzaldehyde
• InChIKey: QNZWAJZEJAOVPN-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H
• Isomere SMILES: C1=CC(=C(C=C1Cl)O)C=O
• Molekulargewicht: 156.57
• Reaxy-Rn: 1099845
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099845&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Aryl-aldehydes
            • Ebene7 Benzaldehydes
              • Ebene8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: M-chlorophenols Benzoyl derivatives Chlorobenzenes 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: Hydroxybenzaldehyde - Benzoyl - 3-chlorophenol - 3-halophenol - 1-hydroxy-4-unsubstituted benzenoid - 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air sensitive
• Schmelzpunkt (°C): 45.0-49.0°C
• Molekulargewicht: 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

Referenzen

1. Yang Tian, Dong-Ye Zhou, Wen-Li Jiang, Zun-Pan She, Yongfei Li, Chun-Yan Li.  (2020)  Novel near-infrared fluorescence probe with large Stokes shift for monitoring CCl4-induced toxic hepatitis.  TALANTA,      [PMID:33303166] [10.1016/j.talanta.2020.121720]

2. Shengfeng Ye, Wenjing Zhang, Zhaolan Zhai, Shibin Shang, Lixin Huang, He Liu, Zhanqian Song, Jianxin Jiang.  (2025)  Rosin-based amphiphilic AIEgens with visualized solid-state molecular motion for injectable and thermostable supramolecular fluorescent hydrogels.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.159191]