5-amino-2,4-difluorophenol - ≥98% , CAS No.113512-71-3

CAS: 113512-71-3 Cat. No.: A166012 Summenformel: C₆H₅F₂NO Molekulargewicht: 145.11 EG-Nummer: 802-531-0

GRADE & PURITY ≥98%

Synonyms

5-amino-2,4-difluorophenol, AldrichCPR | SCHEMBL938014 | 5-Amino-2,4-difluorobenzenol | SB75452 | EN300-213499 | 1R-1506 | 2,4-difluoro-5-aminophenol | 2,4-difluoro-5-amino-phenol | A894357 | J-516676 | 5-amino-2,4-difluorophenol | CXADAFQCFSVRGN-UHFFFAOY

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

5-amino-2,4-difluorophenol, AldrichCPR | SCHEMBL938014 | 5-Amino-2,4-difluorobenzenol | SB75452 | EN300-213499 | 1R-1506 | 2,4-difluoro-5-aminophenol | 2,4-difluoro-5-amino-phenol | A894357 | J-516676 | 5-amino-2,4-difluorophenol | CXADAFQCFSVRGN-UHFFFAOY

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488193908

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193908

Kanonisches Lächeln

C1=C(C(=CC(=C1O)F)F)N

IUPAC Name

5-amino-2,4-difluorophenol

InChIKey

CXADAFQCFSVRGN-UHFFFAOYSA-N

INCHI

1S/C6H5F2NO/c7-3-1-4(8)6(10)2-5(3)9/h1-2,10H,9H2

Isomere SMILES

C1=C(C(=CC(=C1O)F)F)N

WGK Deutschland

3

Molekulargewicht

145.11

Reaxy-Rn

7868893

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7868893&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Fluorophenols
          • Ebene6 P-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: P-fluorophenols
• Alternative Parents: m-Aminophenols O-fluorophenols Aniline and substituted anilines Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - M-aminophenol - Aniline or substituted anilines - 4-fluorophenol - 2-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Amine - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as p-fluorophenols. These are fluorophenols carrying a iodine at the C4 position of 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Molekulargewicht: 145.110 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 145.034 Da
• Monoisotopic Mass: 145.034 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 10
• 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