3-Fluoro-4-morpholinobenzaldehyde - ≥98% , CAS No.495404-90-5

CAS: 495404-90-5 Cat. No.: F709948 Formula: C₁₁H₁₂FNO₂ Peso molecolare: 209.22 PubChem CID: 6486949

GRADE & PURITY ≥98%

Synonyms

3-Fluoro-4-(4-morpholinyl)benzaldehyde

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

3-Fluoro-4-(4-morpholinyl)benzaldehyde

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1COCCN1C2=C(C=C(C=C2)C=O)F

IUPAC Name

3-fluoro-4-morpholin-4-ylbenzaldehyde

InChIKey

RYBHUGMTHMMHKH-UHFFFAOYSA-N

INCHI

1S/C11H12FNO2/c12-10-7-9(8-14)1-2-11(10)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2

Isomeri SMILES

C1COCCN1C2=C(C=C(C=C2)C=O)F

PubChem CID

6486949

Peso molecolare

209.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Benzoyl derivatives Benzaldehydes Aniline and substituted anilines Fluorobenzenes Aryl fluorides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Benzaldehyde - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aryl-aldehyde - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Organooxygen compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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: Light sensitive
• Peso molecolare: 209.220 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 209.085 Da
• Monoisotopic Mass: 209.085 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 219.000
• 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