3,4-Difluoroaniline - ≥98% , CAS No.3863-11-4

CAS: 3863-11-4 Cat. No.: D155253 Fórmula: C₆H₅F₂N Peso molecular: 129.11 Número EC: 223-381-7

GRADE & PURITY ≥98%

Synonyms

AKOS000119498 | Aniline, 3,4-difluoro- | BCP27369 | N4MC3Z4TRF | NSC10296 | 1,2-difluoro-4-aminobenzene | FT-0614273 | 3.4-difluoroaniline | MFCD00006761 | Z104476136 | Benzeneacetaldehyde, 4-methoxy-.alpha.-oxo- | Tyr-OMe | 3,4-difluoro aniline | Benzena

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

3,4-Difluoroaniline (3,4-DFA) was degraded, under aerobic conditions, by Pseudomonas fluorescens.

3,4-Difluoroaniline was used to prepare thiourea-containing sorafenib analogs or fluorinated 2-(4-aminophenyl)benzothiazoles as potential antitumor agents.

Specifications

Sinónimos

AKOS000119498 | Aniline, 3,4-difluoro- | BCP27369 | N4MC3Z4TRF | NSC10296 | 1,2-difluoro-4-aminobenzene | FT-0614273 | 3.4-difluoroaniline | MFCD00006761 | Z104476136 | Benzeneacetaldehyde, 4-methoxy-.alpha.-oxo- | Tyr-OMe | 3,4-difluoro aniline | Benzena

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504755183

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755183

Sonrisas canónicas

C1=CC(=C(C=C1N)F)F

IUPAC Name

3,4-difluoroaniline

InChIKey

AXNUZKSSQHTNPZ-UHFFFAOYSA-N

INCHI

1S/C6H5F2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2

Isómeros SMILES

C1=CC(=C(C=C1N)F)F

RTECS

CX9871900

Número ONU

2941

Grupo de embalaje

III

Peso molecular

129.11

Reaxy-Rn

971235

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971235&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive;Light sensitive
• Índice de refracción: 1.513
• Punto de ebullición (°C): 77 °C/7 mmHg
• Punto de fusión (°C): 22 °C
• Peso molecular: 129.110 g/mol
• XLogP3: 1.600
• 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: 97.100
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% 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.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 3863-11-4, the molecular formula is C6H5F2N, and the molecular weight is 129.11 g/mol. InChIKey AXNUZKSSQHTNPZ-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.