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

CAS: 635-93-8 Cat. No.: C109465 Peso molecular: 156.57 Beilstein Registry Number: 8(2)45 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752353
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752353
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC(=C(C=C1Cl)C=O)O
• WGK Alemania: 3
• RTECS: VN5450000
• Peso molecular: 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
    • 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: 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
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 102-103°C
• Peso molecular: 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

Referencias

1. Jing Hu, Yun Luo, Min Hou, Jia Jia Qi, Li Li Liang, Wen Ge Li.  (2022)  Synthesis, structure, and anticancer studies of Cu (II) and Ni (II) complexes based on (5-chlorosalicylaldehyde)-4-aminoantipyrine Schiff base.  APPLIED ORGANOMETALLIC CHEMISTRY,  36  (10): (e6833).  [PMID:] [10.1002/aoc.6833]

2. Li-Hua Du, Meng-Jie Yang, Yue Pan, Ling-Yan Zheng, Shi-Yi Zhang, Zhi-Kai Sheng, Ping-Feng Chen, Xi-Ping Luo.  (2022)  Continuous Flow Biocatalysis: Synthesis of Coumarin Carboxamide Derivatives by Lipase TL IM from Thermomyces lanuginosus.  Catalysts,  12  (3): (339).  [PMID:] [10.3390/catal12030339]

3. Ruiying Wang, Jianjia Wang, Huimin Zi, Yongmei Xia, Haijun Wang, Xiang Liu.  (2017)  Catalytic transfer hydrogenation of ethyl levulinate to γ-valerolactone over zirconium (IV) Schiff base complexes on mesoporous silica with isopropanol as hydrogen source.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2017.07.026]

4. Xin Wu, Xiaojuan Gong, Wenjuan Dong, Jun Ma, Jianbin Chao, Chenzhong Li, Li Wang, Chuan Dong.  (2016)  A novel fluorescein-based colorimetric probe for Cu2+ detection.  RSC Advances,  6  (64): (59677-59683).  [PMID:] [10.1039/C6RA07236D]

5. Yanfang Wang, Zhen Gu, Wentao Liu, Yuan Yao, Haijun Wang, Xiao-Feng Xia, Wei Li.  (2015)  Conversion of glucose into 5-hydroxymethylfurfural catalyzed by chromium(III) Schiff base complexes and acidic ionic liquids immobilized on mesoporous silica.  RSC Advances,  5  (75): (60736-60744).  [PMID:] [10.1039/C5RA08080K]

6. Yan Bao, Lu Gao, Pei Han, Feng Liu, Junbing Zhou, Wenbo Zhang.  (2024)  Multi-color photochromic waterborne polyurethane with high color fastness from hydroxyl-functionalized trichromatic spiropyrans.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2024.112577]

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9. Hou Cong Li, Ming Zhu Wang, Ye Fan Zheng, Ning An, Min Hou, Jing Hu, Wen Ge Li.  (2025)  Synthesis, crystal structures, and anticancer studies of Ni(II), Co(III), and Zn(II) complexes derived from chlorinated-2-(2-aminophenyl)-1H-benzimidazole Schiff base.  JOURNAL OF COORDINATION CHEMISTRY,      [PMID:] [10.1080/00958972.2025.2456700]

10. Hao Ai, Qiushuo Li, Qiong Xu, Xiangying Li, Degen Li, Qiong Wu.  (2025)  Halogen substitution for fine-tuning the energy gap and intermolecular interactions of dinuclear iron(III) half schiff base complexes: experimental and theoretical investigation.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.143508]

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