5-Chlor-2,4-dihydroxybenzaldehyd - ≥95% , CAS No.131088-02-3

CAS: 131088-02-3 Cat. No.: C302355 Summenformel: C₇H₅ClO₃ Molekulargewicht: 172.57 EG-Nummer: 850-917-2

GRADE & PURITY ≥95%

Synonyms

5-chloro-2,4-dihydroxybenzaldehyde|131088-02-3|2,4-dihydroxy-5-chlorobenzaldehyde|MFCD18324145|Benzaldehyde, 5-chloro-2,4-dihydroxy-|SCHEMBL530919|IPOSHVWRFQTHGK-UHFFFAOYSA-N|AKOS027251269|DS-9993|SY042664|A926820

Storage

Lagerung bei 2-8°C, getrocknet

Shipped In

Nasses Eis

Specifications

Synonyme

5-chloro-2,4-dihydroxybenzaldehyde | 131088-02-3 | 2,4-dihydroxy-5-chlorobenzaldehyde | MFCD18324145 | Benzaldehyde, 5-chloro-2,4-dihydroxy- | SCHEMBL530919 | IPOSHVWRFQTHGK-UHFFFAOYSA-N | AKOS027251269 | DS-9993 | SY042664 | A926820

Spezifikationen & Reinheit

≥95%

Storage

Lagerung bei 2-8°C, getrocknet

Verschickt in

Nasses Eis

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504767713

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767713

Kanonisches Lächeln

C1=C(C(=CC(=C1Cl)O)O)C=O

IUPAC Name

5-chloro-2,4-dihydroxybenzaldehyde

InChIKey

IPOSHVWRFQTHGK-UHFFFAOYSA-N

INCHI

1S/C7H5ClO3/c8-5-1-4(3-9)6(10)2-7(5)11/h1-3,10-11H

Isomere SMILES

C1=C(C(=CC(=C1Cl)O)O)C=O

Molekulargewicht

172.57

Reaxy-Rn

3241207

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3241207&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: Resorcinols P-chlorophenols O-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 - Benzoyl - 4-halophenol - Resorcinol - 4-chlorophenol - 2-halophenol - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Hydrocarbon derivative - Organic oxide - Organochloride - 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

• Siedepunkt (°C): 332.8±22.0 °C
• Schmelzpunkt (°C): 163-164 °C
• Molekulargewicht: 172.560 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.993 Da
• Monoisotopic Mass: 171.993 Da
• Topological Polar Surface Area: 57.500 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 131088-02-3, the molecular formula is C7H5ClO3, and the molecular weight is 172.57 g/mol. InChIKey IPOSHVWRFQTHGK-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.