4,5-Difluoro-2-methoxybenzaldehyde - ≥98% , CAS No.145742-34-3

CAS: 145742-34-3 Cat. No.: D587291 Summenformel: C₈H₆F₂O₂ Molekulargewicht: 172.13 EG-Nummer: 642-714-0

QUALITÄT & REINHEIT ≥98%

Synonyms

A808407 | 4,5-Difluoro-2-methoxybenzaldehyde, AldrichCPR | 2-methoxy-4,5-difluorobenzaldehyde | ZCLXUHQRYFUSLE-UHFFFAOYSA-N | EN300-204025 | Benzaldehyde, 4,5-difluoro-2-methoxy- | MFCD06246884 | FT-0600810 | 4,5-Difluoro-2-methoxybenzaldehyde | PS-8673 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

A808407 | 4,5-Difluoro-2-methoxybenzaldehyde, AldrichCPR | 2-methoxy-4,5-difluorobenzaldehyde | ZCLXUHQRYFUSLE-UHFFFAOYSA-N | EN300-204025 | Benzaldehyde, 4,5-difluoro-2-methoxy- | MFCD06246884 | FT-0600810 | 4,5-Difluoro-2-methoxybenzaldehyde | PS-8673 |

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508809188

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809188

Kanonisches Lächeln

COC1=CC(=C(C=C1C=O)F)F

IUPAC Name

4,5-difluoro-2-methoxybenzaldehyde

InChIKey

ZCLXUHQRYFUSLE-UHFFFAOYSA-N

INCHI

1S/C8H6F2O2/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-4H,1H3

Isomere SMILES

COC1=CC(=C(C=C1C=O)F)F

Molekulargewicht

172.13

Reaxy-Rn

13832418

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13832418&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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 Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzaldehyde - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl-aldehyde - Aryl halide - Aryl fluoride - Ether - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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