2,6-Difluoro-3-methoxybenzaldehyde - ≥95% , CAS No.149949-30-4

CAS: 149949-30-4 Cat. No.: D181639 Peso molecular: 172.1 Número EC: 640-118-5

GRADE & PURITY ≥95%

Synonyms

2,6-Difluoro-3-methoxybenzaldehyde # | 2,6-Difluoro-3-methoxybenzaldehyde, 97% | Z1162202156 | PS-8670 | EN300-175018 | DTXSID80344732 | MFCD04115899 | E89761 | 2,6-Difluoro-3-methoxybenzaldehyde | 2,6-difluoro-3-methoxy-benzaldehyde | FT-0755523 | AC-262

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2, 6-Difluoro-3-methoxybenzaldehyde # | 2, 6-Difluoro-3-methoxybenzaldehyde, 97% | Z1162202156 | PS-8670 | EN300-175018 | DTXSID80344732 | MFCD04115899 | E89761 | 2, 6-Difluoro-3-methoxybenzaldehyde | 2, 6-difluoro-3-methoxy-benzaldehyde | FT-0755523 | AC-262

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504759453
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759453
• Sonrisas canónicas: COC1=C(C(=C(C=C1)F)C=O)F
• IUPAC Name: 2,6-difluoro-3-methoxybenzaldehyde
• InChIKey: WJCGNXHXQFFRKB-UHFFFAOYSA-N
• INCHI: 1S/C8H6F2O2/c1-12-7-3-2-6(9)5(4-11)8(7)10/h2-4H,1H3
• Isómeros SMILES: COC1=C(C(=C(C=C1)F)C=O)F
• Peso molecular: 172.1
• Reaxy-Rn: 6324237
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6324237&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 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
• 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

• Peso molecular: 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