2,6-Difluoro-4-metoxianilina - ≥97% , CAS No.151414-47-0

CAS: 151414-47-0 Cat. No.: D132648 Peso molecular: 159.14 Número EC: 679-045-9

GRADE & PURITY ≥97%

Synonyms

Benzenamine, 2,6-difluoro-4-methoxy- (9CI) | HQBURSNJKAITGQ-UHFFFAOYSA-N | EN300-1852589 | AKOS005257245 | SY106989 | PS-8792 | AB20636 | MFCD04115922 | 4-Amino-3,5-difluoroanisole | SCHEMBL158153 | 2,6-difluoro-4-methoxybenzenamine | A900698 | BBL104134

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

Benzenamine, 2, 6-difluoro-4-methoxy- (9CI) | HQBURSNJKAITGQ-UHFFFAOYSA-N | EN300-1852589 | AKOS005257245 | SY106989 | PS-8792 | AB20636 | MFCD04115922 | 4-Amino-3, 5-difluoroanisole | SCHEMBL158153 | 2, 6-difluoro-4-methoxybenzenamine | A900698 | BBL104134

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504763250
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763250
• Sonrisas canónicas: COC1=CC(=C(C(=C1)F)N)F
• IUPAC Name: 2,6-difluoro-4-methoxyaniline
• InChIKey: HQBURSNJKAITGQ-UHFFFAOYSA-N
• INCHI: 1S/C7H7F2NO/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
• Isómeros SMILES: COC1=CC(=C(C(=C1)F)N)F
• Peso molecular: 159.14
• Reaxy-Rn: 6594438
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6594438&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Primary amines Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Ether - Organohalogen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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

• Solubilidad: Insoluble in water.
• Punto de fusión (°C): 38-40°C
• Peso molecular: 159.130 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 159.05 Da
• Monoisotopic Mass: 159.05 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 122.000
• 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