3,5-Difluoro-4-hydroxybenzaldehyde - ≥97% , CAS No.118276-06-5

CAS: 118276-06-5 Cat. No.: D492705 Formula: C₇H₄F₂O₂ Peso molecolare: 158.11 Numero EC: 642-694-3

GRADE & PURITY ≥97%

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

Argon charged,Room temperature

Shipped In

Normal

Panoramica

3,5-Difluoro-4-hydroxybenzaldehyde is used in the preparation of (Z)-2,6- difluoro-((2-methyl-5-oxooxazol-4(5H)-ylidene)methyl)phenylacetate.

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504765308
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765308
• Sorrisi canonici: 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
• Isomeri SMILES: C1=C(C=C(C(=C1F)O)F)C=O
• Peso molecolare: 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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Punto di fusione (°C): 121-124°C
• Peso molecolare: 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

Domande frequenti

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 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.