2,5-Difluorobenzaldehyde - ≥98% , CAS No.2646-90-4

CAS: 2646-90-4 Cat. No.: D100613 Formule: C₇H₄F₂O Poids moléculaire: 142.1 Beilstein Registry Number: 7(4)561 Numéro CE: 629-300-5

GRADE & PURITY ≥98%

Synonyms

F2190-0610 | EN300-40957 | DTXSID30181058 | STK801356 | InChI=1/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H | 2,5-Difluorobenzaldehyde | 2,5-difluoro-benzaldehyde | PS-9012 | AC-3834 | Z385369882 | D2637 | SCHEMBL65723 | AM20061161 | SY005567 | BCP24600 | VVVOJ

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

F2190-0610 | EN300-40957 | DTXSID30181058 | STK801356 | InChI=1/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H | 2,5-Difluorobenzaldehyde | 2,5-difluoro-benzaldehyde | PS-9012 | AC-3834 | Z385369882 | D2637 | SCHEMBL65723 | AM20061161 | SY005567 | BCP24600 | VVVOJ

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 508807741
• Sourires canoniques: C1=CC(=C(C=C1F)C=O)F
• IUPAC Name: 2,5-difluorobenzaldehyde
• InChIKey: VVVOJODFBWBNBI-UHFFFAOYSA-N
• INCHI: 1S/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
• Isomères SMILES: C1=CC(=C(C=C1F)C=O)F
• WGK Allemagne: 3
• Numéro ONU: 1993
• Poids moléculaire: 142.1
• Beilstein: 7(4)561
• Reaxy-Rn: 2573664
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2573664&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Fluorobenzenes Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Aryl-aldehyde - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Organofluoride - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Sensibilité: Air sensitive.
• Indice de réfraction: 1.50
• Point d'éclair (°F): 138.2 °F
• Point d'éclair (°C): 58℃
• Point d'ébullition (°C): 67°C-69°C
• Poids moléculaire: 142.100 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.023 Da
• Monoisotopic Mass: 142.023 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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