Methyl 3-fluoro-4-formylbenzoate - ≥97% , CAS No.74733-25-8

CAS: 74733-25-8 Cat. No.: M186393 Peso molecular: 182.1 Número EC: 827-012-6

GRADE & PURITY ≥97%

Synonyms

SCHEMBL1765681 | 3-fluoro-4-formylbenzoic acid methyl ester | 3-fluoro-4-formyl-benzoic acid methyl ester | SY024126 | DS-16973 | GJYBURAJRAHKAW-UHFFFAOYSA-N | AKOS016007363 | DTXSID50596105 | EN300-134753 | METHYL 3-FLUORO-4-FORMYLBENZOATE | MFCD16036860

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL1765681 | 3-fluoro-4-formylbenzoic acid methyl ester | 3-fluoro-4-formyl-benzoic acid methyl ester | SY024126 | DS-16973 | GJYBURAJRAHKAW-UHFFFAOYSA-N | AKOS016007363 | DTXSID50596105 | EN300-134753 | METHYL 3-FLUORO-4-FORMYLBENZOATE | MFCD16036860

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504768770
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768770
• Sonrisas canónicas: COC(=O)C1=CC(=C(C=C1)C=O)F
• IUPAC Name: methyl 3-fluoro-4-formylbenzoate
• InChIKey: GJYBURAJRAHKAW-UHFFFAOYSA-N
• INCHI: 1S/C9H7FO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-5H,1H3
• Isómeros SMILES: COC(=O)C1=CC(=C(C=C1)C=O)F
• Peso molecular: 182.1
• Reaxy-Rn: 9255747
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9255747&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: 3-halobenzoic acids and derivatives Benzoyl derivatives Benzaldehydes Fluorobenzenes Aryl fluorides Vinylogous halides Methyl esters Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzaldehyde - Benzoyl - Fluorobenzene - Halobenzene - Aryl-aldehyde - Aryl halide - Aryl fluoride - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

Propiedades químicas y físicas

• Peso molecular: 182.150 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.038 Da
• Monoisotopic Mass: 182.038 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 205.000
• 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