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

CAS: 118276-06-5 Cat. No.: D492705 Formule: C₇H₄F₂O₂ Poids moléculaire: 158.11 Numéro CE: 642-694-3

QUALITÉ & PURETÉ ≥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

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504765308

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765308

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Point de fusion (°C): 121-124°C
• Poids moléculaire: 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

Foire aux questions

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.