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

CAS: 118276-06-5 Cat. No.: D124163 Fórmula: C₇H₄F₂O₂ Peso molecular: 158.11 Número CE: 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

Sinónimos

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

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488196574

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

Peso molecular

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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Ponto de fusão (°C): 121-124°C
• Peso molecular: 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

Perguntas frequentes

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.