3-Bromo-5-chlorosalicylaldehyde - ≥98% , CAS No.19652-32-5

CAS: 19652-32-5 Cat. No.: B113803 Molecular Weight: 235.46 EC Number: 606-351-1

GRADE & PURITY ≥98%

Synonyms

3-Bromo-5-chloro-2-hydroxybenzaldehyde | 3-Bromo-5-chloro-2-hydroxy-benzaldehyde | Ractopamine hydrochloride (USP) | D11016 | Benzaldehyde, 3-bromo-5-chloro-2-hydroxy- | SCHEMBL264863 | Z979493248 | FT-0658883 | US8614253, .3-41 | MFCD00051690 | 3-Bromo-5

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

3-Bromo-5-chlorosalicylaldehyde is a substituted salicyladehyde.

3-Bromo-5-chlorosalicylaldehyde may be used in the synthesis of the following Schiff base compounds:

· 2-bromo-4-chloro-6-[(E)-o-tolyl-imino-meth-yl]phenol

· 2-bromo-4-chloro-6-[(1-phenyl-ethyl)-imino-meth-yl]phenol

· 2-bromo-4-chloro-6-[(E)-(2-chloro-phen-yl)imino-meth-yl]phenol

· 2′-(3-bromo-5-chloro-2-hydroxy-benzyl-idene)isonicotinohydrazide methanol solvate

Specifications

Synonyms

3-Bromo-5-chloro-2-hydroxybenzaldehyde | 3-Bromo-5-chloro-2-hydroxy-benzaldehyde | Ractopamine hydrochloride (USP) | D11016 | Benzaldehyde, 3-bromo-5-chloro-2-hydroxy- | SCHEMBL264863 | Z979493248 | FT-0658883 | US8614253, .3-41 | MFCD00051690 | 3-Bromo-5

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488190030
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190030
• Canonical Smiles: C1=C(C=C(C(=C1C=O)O)Br)Cl
• IUPAC Name: 3-bromo-5-chloro-2-hydroxybenzaldehyde
• InChIKey: KNOYZLVIXXBBIB-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrClO2/c8-6-2-5(9)1-4(3-10)7(6)11/h1-3,11H
• Isomeric SMILES: C1=C(C=C(C(=C1C=O)O)Br)Cl
• WGK Germany: 3
• Molecular Weight: 235.46
• Reaxy-Rn: 2362159
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2362159&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 O-bromophenols Benzoyl derivatives Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Vinylogous acids Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 4-halophenol - 2-halophenol - 2-bromophenol - 4-chlorophenol - Halobenzene - Chlorobenzene - Bromobenzene - Phenol - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Aryl bromide - Benzenoid - Vinylogous acid - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - 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 ；Moisture sensitive
• Melt Point(°C): 84-88°C
• Molecular Weight: 235.460 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.908 Da
• Monoisotopic Mass: 233.908 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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

1. 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]

2. Liang Jiao, Meifen Huang, Jiajun Xu, Qiuling Yang, Qiong Wu.  (2024)  Two halogenated coplanar Schiff base complexes: Insights into the impact of halogen substitution on intermolecular interactions via theoretical calculations.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2024.138676]