4-(Difluoromethoxy)-3-methoxybenzaldehyde - ≥98% , CAS No.162401-70-9

CAS: 162401-70-9 Cat. No.: D181885 Peso molecular: 202.2 Número EC: 681-039-6

GRADE & PURITY ≥98%

Synonyms

CL8350 | 4-(difluoromethoxy)-3-methoxy benzaldehyde | SY034458 | A23098 | AM20060877 | 4-(difluoromethoxy)-3-methoxybenzaldehyde | GS-3642 | EN300-01171 | FT-0643570 | 4-Difluoromethoxy-3-methoxybenzaldehyde | 4-Difluoromethoxy-3-methoxy-benzaldehyde | BB

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

CL8350 | 4-(difluoromethoxy)-3-methoxy benzaldehyde | SY034458 | A23098 | AM20060877 | 4-(difluoromethoxy)-3-methoxybenzaldehyde | GS-3642 | EN300-01171 | FT-0643570 | 4-Difluoromethoxy-3-methoxybenzaldehyde | 4-Difluoromethoxy-3-methoxy-benzaldehyde | BB

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504762493
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762493
• Sonrisas canónicas: COC1=C(C=CC(=C1)C=O)OC(F)F
• IUPAC Name: 4-(difluoromethoxy)-3-methoxybenzaldehyde
• InChIKey: KGPOVKAYCXTCQS-UHFFFAOYSA-N
• INCHI: 1S/C9H8F2O3/c1-13-8-4-6(5-12)2-3-7(8)14-9(10)11/h2-5,9H,1H3
• Isómeros SMILES: COC1=C(C=CC(=C1)C=O)OC(F)F
• Peso molecular: 202.2
• Reaxy-Rn: 13574737
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13574737&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Alkyl aryl ethers Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzaldehyde - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - Ether - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Índice de refracción: 1.5155
• Peso molecular: 202.150 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 202.044 Da
• Monoisotopic Mass: 202.044 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 187.000
• 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