3,5-Difluorosalicylaldehyde - ≥97% , CAS No.63954-77-8

CAS: 63954-77-8 Cat. No.: W136456 Summenformel: F₂C₆H₂(OH)CHO Molekulargewicht: 158.1 EG-Nummer: 625-317-7 PubChem CID: 2779374

GRADE & PURITY ≥97%

Synonyms

Z979493254 | MFCD04039224 | SY106773 | BBL100040 | STL511017 | 3,5-bis(fluoranyl)-2-oxidanyl-benzaldehyde | AM62565 | BDBM111027 | AKOS005256420 | 3,5-difluoro-2-hydroxybenzaldehyde | DTXSID40381421 | 3,5-Difluorosalicylaldehyde | 3,5-difluoro-salicylalde

Storage

Room temperature

Shipped In

Normal

Übersicht

3,5-Difluorosalicylaldehyde has been synthesized by employing 2,4-difluorophenol as a starting reagent.
3,5-Difluorosalicylaldehyde may be used in the synthesis of Ni[CpFe(η5-C5H4)-C(O)CH=C(CH3)N-o-C6H4N=CH-(2-O,3,5-F2-C6H2)] (Cp = cyclopentyl) and Zn(salphenazine) complex.

Specifications

Synonyme

Z979493254 | MFCD04039224 | SY106773 | BBL100040 | STL511017 | 3,5-bis(fluoranyl)-2-oxidanyl-benzaldehyde | AM62565 | BDBM111027 | AKOS005256420 | 3,5-difluoro-2-hydroxybenzaldehyde | DTXSID40381421 | 3,5-Difluorosalicylaldehyde | 3,5-difluoro-salicylalde

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504762042

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762042

Kanonisches Lächeln

C1=C(C=C(C(=C1C=O)O)F)F

IUPAC Name

3,5-difluoro-2-hydroxybenzaldehyde

InChIKey

QGSAZWCEHUYVMW-UHFFFAOYSA-N

INCHI

1S/C7H4F2O2/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)F)F

WGK Deutschland

3

PubChem CID

2779374

Molekulargewicht

158.1

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-fluorophenols O-fluorophenols Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous acids Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 4-halophenol - 2-halophenol - 2-fluorophenol - 4-fluorophenol - Halobenzene - Fluorobenzene - Phenol - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Vinylogous acid - Organofluoride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 158.100 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 158.018 Da
• Monoisotopic Mass: 158.018 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 63954-77-8, the molecular formula is C7H4F2O2, and the molecular weight is 158.1 g/mol. InChIKey QGSAZWCEHUYVMW-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.