4-(Difluoromethoxy)-3-hydroxybenzaldehyde - ≥95% , CAS No.151103-08-1

CAS: 151103-08-1 Cat. No.: D131994 Formula: C₈H₆F₂O₃ Peso molecolare: 188.13 Numero EC: 687-745-0

GRADE & PURITY ≥95%

Synonyms

4-Difluoromethoxy 3-hydroxy benzaldehyde | SY028766 | Benzaldehyde, 4-(difluoromethoxy)-3-hydroxy- | EN300-2056860 | 4-(difluoromethoxy)-3-hydroxybenzaldehyde | Z1255395774 | 4-difluoromethoxy-3-hydroxy benzaldehyde | CL8349 | GEO-02629 | W-200127 | MFCD0

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

4-Difluoromethoxy 3-hydroxy benzaldehyde | SY028766 | Benzaldehyde, 4-(difluoromethoxy)-3-hydroxy- | EN300-2056860 | 4-(difluoromethoxy)-3-hydroxybenzaldehyde | Z1255395774 | 4-difluoromethoxy-3-hydroxy benzaldehyde | CL8349 | GEO-02629 | W-200127 | MFCD0

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504761522

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761522

Sorrisi canonici

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

IUPAC Name

4-(difluoromethoxy)-3-hydroxybenzaldehyde

InChIKey

ZLIKNROJGXXNJG-UHFFFAOYSA-N

INCHI

1S/C8H6F2O3/c9-8(10)13-7-2-1-5(4-11)3-6(7)12/h1-4,8,12H

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

188.13

Reaxy-Rn

9120886

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9120886&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: Phenoxy compounds Phenol ethers Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Phenoxy compound - Benzoyl - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Alkyl halide - Organofluoride - Organohalogen compound - Alkyl fluoride - 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

Obiettivi associati (non umani)

Trypanosoma cruzi (99888 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Punto di fusione (°C): 90 °C
• Peso molecolare: 188.130 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 188.029 Da
• Monoisotopic Mass: 188.029 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 175.000
• 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 ≥95% 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 151103-08-1, the molecular formula is C8H6F2O3, and the molecular weight is 188.13 g/mol. InChIKey ZLIKNROJGXXNJG-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.