3,5-Dichlorosalicylaldehyde - ≥98% , CAS No.90-60-8

CAS: 90-60-8 Cat. No.: D113555 Formula: C₇H₄Cl₂O₂ Molecular Weight: 191.01 Beilstein Registry Number: 8,54 EC Number: 202-005-5

GRADE & PURITY ≥98%

Synonyms

3,5-DICHLORO SALICYLAL | AKOS000121474 | D1170 | 2-Hydroxy-3,5-dichlorobenzaldehyde | Benzaldehyde, 3,5-dichloro-2-hydroxy- | AE-646/31214010 | NSC 96393 | 3,5-Dichlorosalicylaldehyde | 3,5-dichloro-salicylaldehyde | AMY14635 | BDBM111019 | DTXSID2059011

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Usually used in the preparation of Schiff base ligands, (RS)-3,5-dichloro-2-[[(1-phenylethyl)imino]methyl]phenol.

Specifications

Synonyms

3,5-DICHLORO SALICYLAL | AKOS000121474 | D1170 | 2-Hydroxy-3,5-dichlorobenzaldehyde | Benzaldehyde, 3,5-dichloro-2-hydroxy- | AE-646/31214010 | NSC 96393 | 3,5-Dichlorosalicylaldehyde | 3,5-dichloro-salicylaldehyde | AMY14635 | BDBM111019 | DTXSID2059011

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488183825

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183825

Canonical Smiles

C1=C(C=C(C(=C1C=O)O)Cl)Cl

IUPAC Name

3,5-dichloro-2-hydroxybenzaldehyde

InChIKey

FABVMBDCVAJXMB-UHFFFAOYSA-N

INCHI

1S/C7H4Cl2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H

Isomeric SMILES

C1=C(C=C(C(=C1C=O)O)Cl)Cl

WGK Germany

3

Molecular Weight

191.01

Beilstein

8,54

Reaxy-Rn

973391

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973391&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-chlorophenols Dichlorobenzenes Benzoyl derivatives Aryl chlorides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 1,3-dichlorobenzene - 4-halophenol - 2-halophenol - 2-chlorophenol - 4-chlorophenol - Chlorobenzene - Halobenzene - Phenol - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Vinylogous acid - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - 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

Associated Targets(Human)

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Streptococcus sp. 'group A' (3417 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water;Solubility in hot Methanol:almost transparency
• Sensitivity: air sensitive
• Melt Point(°C): 94°C
• Molecular Weight: 191.010 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.959 Da
• Monoisotopic Mass: 189.959 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 90-60-8, the molecular formula is C7H4Cl2O2, and the molecular weight is 191.01 g/mol. InChIKey FABVMBDCVAJXMB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.