3-Chloro-5-hydroxybenzaldehyde - ≥97% , CAS No.1829-33-0

CAS: 1829-33-0 Cat. No.: C191708 Summenformel: C₇H₅ClO₂ Molekulargewicht: 156.57 EG-Nummer: 899-345-5

GRADE & PURITY ≥97%

Synonyms

AKOS006227926 | SCHEMBL2549975 | EN300-651563 | AB43616 | FT-0692121 | N-(3-CHLOROPYRIDIN-4-YL)-3-(CYCLOPENTYLOXY)-4-METHOXYBENZAMIDE | CL8316 | DTXSID20619815 | Benzaldehyde, 3-chloro-5-hydroxy- | BJENCCAVAIAGOF-UHFFFAOYSA-N | 3-CHLORO-5-HYDROXYBENZALDEH

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

AKOS006227926 | SCHEMBL2549975 | EN300-651563 | AB43616 | FT-0692121 | N-(3-CHLOROPYRIDIN-4-YL)-3-(CYCLOPENTYLOXY)-4-METHOXYBENZAMIDE | CL8316 | DTXSID20619815 | Benzaldehyde, 3-chloro-5-hydroxy- | BJENCCAVAIAGOF-UHFFFAOYSA-N | 3-CHLORO-5-HYDROXYBENZALDEH

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528758733
• Kanonisches Lächeln: C1=C(C=C(C=C1O)Cl)C=O
• IUPAC Name: 3-chloro-5-hydroxybenzaldehyde
• InChIKey: BJENCCAVAIAGOF-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClO2/c8-6-1-5(4-9)2-7(10)3-6/h1-4,10H
• Isomere SMILES: C1=C(C=C(C=C1O)Cl)C=O
• Molekulargewicht: 156.57
• Reaxy-Rn: 11269492
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11269492&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: M-chlorophenols Benzoyl derivatives Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 3-halophenol - 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Halobenzene - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - 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

• Molekulargewicht: 156.560 g/mol
• XLogP3: 2.500
• 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