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

CAS: 3863-11-4 Cat. No.: D155253 Formula: C₆H₅F₂N Peso molecolare: 129.11 Numero 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

Argon charged,Room temperature

Shipped In

Normal

Panoramica

la 3,4-Difluoroanilina (3,4-DFA) è stata degradata, in condizioni aerobiche, da Pseudomonas fluorescens.

la 3,4-Difluoroanilina è stata utilizzata per preparare analoghi del sorafenib contenenti tiourea o 2-(4-aminofenil)benzotiazoli fluorurati come potenziali agenti antitumorali.

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504755183
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755183
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC(=C(C=C1N)F)F
• RTECS: CX9871900
• Numero UN: 2941
• Gruppo di imballaggio: III
• Peso molecolare: 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
    • 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive;Light sensitive
• Indice di rifrazione: 1.513
• Punto di ebollizione (°C): 77 °C/7 mmHg
• Punto di fusione (°C): 22 °C
• Peso molecolare: 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

Riferimenti

1. Tu Hong, Tian Bihong, Chen Shunshun, Xu Jingyi, Yang Jianrong, Zhao Zhichao, Chen Shunhong, Wu Jian.  (2025)  Enhancing photocatalytic efficiency through surface modification to manipulate internal electron-hole distribution.  npj Clean Water,  8  (1): (1-10).  [PMID:] [10.1038/s41545-025-00480-4]

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]

Domande frequenti

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.