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

CAS: 5509-65-9 Cat. No.: D109435 Formule: C₆H₅F₂N Poids moléculaire: 129.11 Beilstein Registry Number: 2802697 Numéro CE: 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

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488185759

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185759

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

Numéro ONU

1993

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water.
• Sensibilité: Light sensitive;Air sensitive
• Indice de réfraction: 1.508
• Point d'éclair (°F): 123.8 °F
• Point d'éclair (°C): 43 °C
• Point d'ébullition (°C): 51-52°C
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5509-65-9, the molecular formula is C6H5F2N, and the molecular weight is 129.11 g/mol. InChIKey ODUZJBKKYBQIBX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.