2,3-Difluoro-4-methoxybenzaldehyde - ≥98% , CAS No.256417-11-5

CAS: 256417-11-5 Cat. No.: D183197 Formule: C₈H₆F₂O₂ Poids moléculaire: 172.13 Numéro CE: 642-790-5

GRADE & PURITY ≥98%

Synonyms

Benzaldehyde, 2,3-difluoro-4-methoxy- | FT-0729858 | AKOS005254734 | JS-4317 | 2,3-Difluoro-4-methoxybenzaldehyde, AldrichCPR | A817940 | EN300-206738 | Z1201622919 | STL554310 | AMY8663 | 2,3-Difluoro-4-methoxybenzaldehyde | 2,3-difluoro-4-methoxy-benzal

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

Benzaldehyde, 2,3-difluoro-4-methoxy- | FT-0729858 | AKOS005254734 | JS-4317 | 2,3-Difluoro-4-methoxybenzaldehyde, AldrichCPR | A817940 | EN300-206738 | Z1201622919 | STL554310 | AMY8663 | 2,3-Difluoro-4-methoxybenzaldehyde | 2,3-difluoro-4-methoxy-benzal

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488194544
• Sourires canoniques: COC1=C(C(=C(C=C1)C=O)F)F
• IUPAC Name: 2,3-difluoro-4-methoxybenzaldehyde
• InChIKey: UBBBLLSKHCENQZ-UHFFFAOYSA-N
• INCHI: 1S/C8H6F2O2/c1-12-6-3-2-5(4-11)7(9)8(6)10/h2-4H,1H3
• Isomères SMILES: COC1=C(C(=C(C=C1)C=O)F)F
• Poids moléculaire: 172.13
• Reaxy-Rn: 7128492
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7128492&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: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzaldehyde - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Ether - 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

• Point de fusion (°C): 63-66℃
• Poids moléculaire: 172.130 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.034 Da
• Monoisotopic Mass: 172.034 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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