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

CAS: 90-60-8 Cat. No.: D113555 Summenformel: C₇H₄Cl₂O₂ Molekulargewicht: 191.01 Beilstein Registry Number: 8,54 EG-Nummer: 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

Argon charged,Room temperature

Shipped In

Normal

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488183825
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183825
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=C(C=C(C(=C1C=O)O)Cl)Cl
• WGK Deutschland: 3
• Molekulargewicht: 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
    • 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: 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
• 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

Zugehörige Ziele (menschlich)

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

Zugehörige Ziele (nicht menschlich)

Streptococcus sp. 'group A' (3417 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water;Solubility in hot Methanol:almost transparency
• Empfindlichkeit: air sensitive
• Schmelzpunkt (°C): 94°C
• Molekulargewicht: 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

Referenzen

1. Liduo Chen, Jinyan Tan, Tianyu Lan, Hongliang Huo, Liyuan Sun, Yan Jiang, Na Zhang, Cuiqin Li, Jun Wang.  (2023)  Effect of Ligand Structure on Ethylene Oligomerization over Salicylaldehyde Imine Nickel Complexes: Experiments and Calculations.  APPLIED ORGANOMETALLIC CHEMISTRY,  37  (12): (e7276).  [PMID:] [10.1002/aoc.7276]

2. Jiajun Xu, Meifen Huang, Liang Jiao, Haijun Pang, Xia Wang, Rui Duan, Qiong Wu.  (2023)  Supramolecular Dimer as High-Performance pH Probe: Study on the Fluorescence Properties of Halogenated Ligands in Rigid Schiff Base Complex.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  24  (11): (9480).  [PMID:37298432] [10.3390/ijms24119480]

3. Xiangdong Kong, Jingwen Ke, Zhiqiang Wang, Yan Liu, Yibo Wang, Weiran Zhou, Zhengwu Yang, Wensheng Yan, Zhigang Geng, Jie Zeng.  (2021)  Co-based molecular catalysts for efficient CO2 reduction via regulating spin states.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2021.120067]

4. Tianyu Lan, Na Zhang, Liduo Chen, Cuiqin Li, Jun Wang.  (2021)  Synthesis of New Dendritic Titanium Catalysts and Catalytic Ethylene Polymerization.  ACS Omega,      [PMID:33553953] [10.1021/acsomega.0c05851]

5. Qingqing Hu, Jianhua Kuang, Jingxue Yuan, Yao Feng, Zhengjun Cheng.  (2024)  Detection of Amaranth and Iron in Foods by Modified Carbon Quantum Dots as a Ratiometric Fluorescence Probe.  ChemistrySelect,  9  (2): (e202303816).  [PMID:] [10.1002/slct.202303816]

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]

7. 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]

Häufig gestellte Fragen

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.