2,5-Difluoroanisole - ≥98% , CAS No.75626-17-4

CAS: 75626-17-4 Cat. No.: D122594 Formule: C₇H₆F₂O Poids moléculaire: 144.12 Beilstein Registry Number: 4383722 Numéro CE: 616-247-8

GRADE & PURITY ≥98%

Synonyms

MFCD00042561 | 2,5-Difluoroanisole | AC-3786 | A19864 | 2,5-Difluoro Anisole | FT-0610347 | 1,4-Difluoro-2-methoxybenzene | D3805 | AKOS005254743 | J-507334 | Benzene, 1,4-difluoro-2-methoxy- | 2,5-difluoro-1-methoxybenzene | 2,5-difluoroanisol | EN300-71

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

MFCD00042561 | 2,5-Difluoroanisole | AC-3786 | A19864 | 2,5-Difluoro Anisole | FT-0610347 | 1,4-Difluoro-2-methoxybenzene | D3805 | AKOS005254743 | J-507334 | Benzene, 1,4-difluoro-2-methoxy- | 2,5-difluoro-1-methoxybenzene | 2,5-difluoroanisol | EN300-71

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488192332

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192332

Sourires canoniques

COC1=C(C=CC(=C1)F)F

IUPAC Name

1,4-difluoro-2-methoxybenzene

InChIKey

HUDMAQLYMUKZOZ-UHFFFAOYSA-N

INCHI

1S/C7H6F2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3

Isomères SMILES

COC1=C(C=CC(=C1)F)F

Poids moléculaire

144.12

Beilstein

4383722

Reaxy-Rn

4383722

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4383722&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Ether - Organohalogen compound - Organic oxygen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• Indice de réfraction: 1.4755
• Point d'éclair (°F): 40°C(Lit.)
• Point d'éclair (°C): 40°C(Lit.)
• Point d'ébullition (°C): 73°C/25mmHg
• Poids moléculaire: 144.120 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.039 Da
• Monoisotopic Mass: 144.039 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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