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

CAS: 151414-47-0 Cat. No.: D132648 Molecular Weight: 159.14 EC Number: 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

Store at 2-8°C

Shipped In

Wet ice

Specifications

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

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504763250
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763250
• Canonical Smiles: 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
• Isomeric SMILES: COC1=CC(=C(C(=C1)F)N)F
• Molecular Weight: 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
    • Class Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Melt Point(°C): 38-40°C
• Molecular Weight: 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