3-Ethoxy-4-fluorobenzaldehyde - ≥96% , CAS No.870837-27-7

CAS: 870837-27-7 Cat. No.: E187299 Formule: C₉H₉FO₂ Poids moléculaire: 168.2

QUALITÉ & PURETÉ ≥96%

Synonyms

D82303 | Benzaldehyde, 3-ethoxy-4-fluoro- | MFCD12022599 | AKOS005264019 | 3-Ethoxy-4-fluorobenzaldehyde | 3-ethoxy-4-fluoro-benzaldehyde | SCHEMBL1121313 | VJB83727 | DTXSID60655090 | BS-17689 | HZNOPWKQZZXRIF-UHFFFAOYSA-N

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

D82303 | Benzaldehyde, 3-ethoxy-4-fluoro- | MFCD12022599 | AKOS005264019 | 3-Ethoxy-4-fluorobenzaldehyde | 3-ethoxy-4-fluoro-benzaldehyde | SCHEMBL1121313 | VJB83727 | DTXSID60655090 | BS-17689 | HZNOPWKQZZXRIF-UHFFFAOYSA-N

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

Sourires canoniques

CCOC1=C(C=CC(=C1)C=O)F

IUPAC Name

3-ethoxy-4-fluorobenzaldehyde

InChIKey

HZNOPWKQZZXRIF-UHFFFAOYSA-N

INCHI

1S/C9H9FO2/c1-2-12-9-5-7(6-11)3-4-8(9)10/h3-6H,2H2,1H3

Isomères SMILES

CCOC1=C(C=CC(=C1)C=O)F

Poids moléculaire

168.2

Reaxy-Rn

11288428

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11288428&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl-aldehyde - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Ether - Organohalogen compound - Aldehyde - Organic oxide - Organic oxygen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Poids moléculaire: 168.160 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.059 Da
• Monoisotopic Mass: 168.059 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• 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

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 870837-27-7, the molecular formula is C9H9FO2, and the molecular weight is 168.2 g/mol. InChIKey HZNOPWKQZZXRIF-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.