3,5-Difluoro-4-hydroxybenzaldehyde - ≥99% , CAS No.118276-06-5

CAS: 118276-06-5 Cat. No.: D124163 Summenformel: C₇H₄F₂O₂ Molekulargewicht: 158.11 EG-Nummer: 642-694-3

GRADE & PURITY ≥99%

Synonyms

SKOYTQILPMNZQO-UHFFFAOYSA-N | SY064372 | Benzaldehyde, 3,5-difluoro-4-hydroxy- | Z1201623849 | J-511319 | BCP27472 | BBL102518 | AKOS005257853 | PS-8812 | DTXSID20436529 | 4-hydroxy-3,5-difluorobenzaldehyde | MFCD06797917 | SCHEMBL1922945 | 9H-Xanthen-9-o

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

SKOYTQILPMNZQO-UHFFFAOYSA-N | SY064372 | Benzaldehyde, 3,5-difluoro-4-hydroxy- | Z1201623849 | J-511319 | BCP27472 | BBL102518 | AKOS005257853 | PS-8812 | DTXSID20436529 | 4-hydroxy-3,5-difluorobenzaldehyde | MFCD06797917 | SCHEMBL1922945 | 9H-Xanthen-9-o

Spezifikationen & Reinheit

≥99%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488196574

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196574

Kanonisches Lächeln

C1=C(C=C(C(=C1F)O)F)C=O

IUPAC Name

3,5-difluoro-4-hydroxybenzaldehyde

InChIKey

SKOYTQILPMNZQO-UHFFFAOYSA-N

INCHI

1S/C7H4F2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H

Isomere SMILES

C1=C(C=C(C(=C1F)O)F)C=O

Molekulargewicht

158.11

Reaxy-Rn

6501851

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6501851&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: O-fluorophenols Benzoyl derivatives Fluorobenzenes Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 2-halophenol - 2-fluorophenol - Phenol - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 121-124°C
• Molekulargewicht: 158.100 g/mol
• XLogP3: 1.200
• 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: 139.000
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 118276-06-5, the molecular formula is C7H4F2O2, and the molecular weight is 158.11 g/mol. InChIKey SKOYTQILPMNZQO-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.