2,6-Difluoroaniline - ≥97% , CAS No.5509-65-9

CAS: 5509-65-9 Cat. No.: D109435 Molecular Weight: 129.11 Beilstein Registry Number: 2802697 EC Number: 226-853-0

GRADE & PURITY ≥97%

Synonyms

2,6-difluorobenzeneamine | InChI=1/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H | 2,6 difluoroaniline | 5-Quinolinesulfonic acid, 8-hydroxy-7-(6-sulfo-2-naphthylazo)- | STK802226 | D1635 | 2,6-Difluoroaniline, >=97% | Ethanaminium, N,N,N-triethyl-, salt with 1,1

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Usually used in the synthesis of N-2,6-difluorophenyl-5-methoxy-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamide, herbicidal compound,series of 2,6,9-trisubstituted purine inhibitors of p38α kinase, substituted phenylthiomorpholine dioxide, an active pharmaceutical intermediate.

Specifications

Synonyms

2, 6-difluorobenzeneamine | InChI=1/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H, 9H | 2, 6 difluoroaniline | 5-Quinolinesulfonic acid, 8-hydroxy-7-(6-sulfo-2-naphthylazo)- | STK802226 | D1635 | 2, 6-Difluoroaniline, >=97% | Ethanaminium, N, N, N-triethyl-, salt with 1, 1

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488185759
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185759
• Canonical Smiles: C1=CC(=C(C(=C1)F)N)F
• IUPAC Name: 2,6-difluoroaniline
• InChIKey: ODUZJBKKYBQIBX-UHFFFAOYSA-N
• INCHI: 1S/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
• Isomeric SMILES: C1=CC(=C(C(=C1)F)N)F
• WGK Germany: 3
• UN Number: 1993
• Molecular Weight: 129.11
• Beilstein: 2802697
• Reaxy-Rn: 2802697
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802697&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Fluorobenzenes Aryl fluorides Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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: Slightly soluble in water.
• Sensitivity: Light sensitive;Air sensitive
• Refractive Index: 1.508
• Flash Point(°F): 123.8 °F
• Flash Point(°C): 43 °C
• Boil Point(°C): 51-52°C
• Molecular Weight: 129.110 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.039 Da
• Monoisotopic Mass: 129.039 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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

References

1. Yating Zhang, Jing Qi, Jun Xia, Fei Zhai, Liqi Dong.  (2025)  Visible-Light-Controlled Thermal Energy Storage and Release: A Tetra-Ortho-Fluorinated Azobenzene-Doped Composite Phase Change Material.  MOLECULES,  30  (17): (3576).  [PMID:40942101] [10.3390/molecules30173576]

2. Meiqiong Yu, Ahai Shahe, Jie Zou, Yixin Hu, Yuxuan Yang, Shucui Han, Jinbei Yang.  (2025)  Density, dynamic viscosity, and saturated vapor pressure of four difluoroaniline isomers at different temperatures and atmospheric pressure.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2025.129219]