(4-Fluorophenyl)acetaldehyde - ≥98% , CAS No.1736-67-0

CAS: 1736-67-0 Cat. No.: F355005 Formula: C₈H₇FO Peso molecolare: 138.14 Numero EC: 605-686-0

QUALITÀ & PUREZZA ≥98%

Synonyms

AB11805 | 4-fluorophenylacetaldehyde | DTXSID80456061 | MFCD02261761 | J-010931 | 4-fluorophenyl acetaldehyde | GS-5993 | (4-Fluorophenyl)acetaldehyde, AldrichCPR | KCXZRESSSSYYCW-UHFFFAOYSA-N | BENZENEACETALDEHYDE, 4-FLUORO- | SY042926 | 2-(4-fluoropheny

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifiche

Sinonimi

AB11805 | 4-fluorophenylacetaldehyde | DTXSID80456061 | MFCD02261761 | J-010931 | 4-fluorophenyl acetaldehyde | GS-5993 | (4-Fluorophenyl)acetaldehyde, AldrichCPR | KCXZRESSSSYYCW-UHFFFAOYSA-N | BENZENEACETALDEHYDE, 4-FLUORO- | SY042926 | 2-(4-fluoropheny

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528753016

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528753016

Sorrisi canonici

C1=CC(=CC=C1CC=O)F

IUPAC Name

2-(4-fluorophenyl)acetaldehyde

InChIKey

KCXZRESSSSYYCW-UHFFFAOYSA-N

INCHI

1S/C8H7FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,6H,5H2

Isomeri SMILES

C1=CC(=CC=C1CC=O)F

Peso molecolare

138.14

Reaxy-Rn

4371301

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4371301&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylacetaldehydes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylacetaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetaldehydes
• Alternative Parents: Fluorobenzenes Aryl fluorides Alpha-hydrogen aldehydes Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetaldehyde - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Alpha-hydrogen aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde.
• 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: Air sensitive
• Indice di rifrazione: n20D1.49 (Predicted)
• Punto di ebollizione (°C): 51-55° C at 1 mmHg
• Punto di fusione (°C): -5.2° C (Predicted)
• Peso molecolare: 138.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.048 Da
• Monoisotopic Mass: 138.048 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 106.000
• 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