2,4-Difluoroaniline - ≥98%(GC) , CAS No.367-25-9

CAS: 367-25-9 Cat. No.: D135481 Molecular Weight: 129.11 Beilstein Registry Number: 12(1)297 EC Number: 206-687-5

GRADE & PURITY ≥98%(GC)

Synonyms

BRN 2802556 | 2,4-Difluroaniline | 2,4-difluoro-anilin;Aniline, 2,4-difluoro-;Benzenamine, 2,4-difluoro- | UNII-40P93L7KWD | 2,4-Difluoro Aniline | FT-0601172 | 2,4-Difluoroaniline, 99% | PS-9155 | W-106593 | A25254 | DTXSID6025064 | 2, 4-Difluoroaniline

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2,4-Difluoroaniline is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.

Specifications

Synonyms

BRN 2802556 | 2, 4-Difluroaniline | 2, 4-difluoro-anilin;Aniline, 2, 4-difluoro-;Benzenamine, 2, 4-difluoro- | UNII-40P93L7KWD | 2, 4-Difluoro Aniline | FT-0601172 | 2, 4-Difluoroaniline, 99% | PS-9155 | W-106593 | A25254 | DTXSID6025064 | 2, 4-Difluoroaniline

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504751859
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751859
• Canonical Smiles: C1=CC(=C(C=C1F)F)N
• IUPAC Name: 2,4-difluoroaniline
• InChIKey: CEPCPXLLFXPZGW-UHFFFAOYSA-N
• INCHI: 1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
• Isomeric SMILES: C1=CC(=C(C=C1F)F)N
• WGK Germany: 1
• RTECS: BX3680000
• UN Number: 2941
• Packing Group: III
• Molecular Weight: 129.11
• Beilstein: 12(1)297
• Reaxy-Rn: 2802556
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802556&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

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Refractive Index: 1.506
• Flash Point(°F): 143.6 °F
• Flash Point(°C): 62°C(lit.)
• Boil Point(°C): 170 °C/753
• Melt Point(°C): -7.5°C
• Molecular Weight: 129.110 g/mol
• XLogP3: 1.500
• 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

References

1. Jinxiang Zuo, Donglei Fu, Pengwei Yan, Shuyu Wang, Yabin Li, Linlu Shen, Yizhen Cheng, Jimin Shen, Jing Kang, Zhonglin Chen.  (2023)  Synergistic mechanism of surface oxygen vacancies and metal sites on Al-substituted NiFe2O4 during peroxymonosulfate activation in the solid-water interface for 2,4-D degradation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.147884]

2. Xinwei Zhu, Jimin Shen, Jing Kang, Pengwei Yan, Lei Yuan, Yizhen Cheng, Binyuan Wang, Shengxin Zhao, Zhonglin Chen.  (2023)  Surface atomic oxygen species mediated the in-situ formation of hydroxyl radicals on Fe3C decorated biochar for enhancing catalytic ozonation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.145380]

3. Wenyu Ma, Jiaxuan Fan, Xiaoyan Cui, Yujiao Wang, Yumei Yan, Zilin Meng, Haixiang Gao, Runhua Lu, Wenfeng Zhou.  (2022)  Pyrolyzing spent coffee ground to biochar treated with H3PO4 for the efficient removal of 2,4-dichlorophenoxyacetic acid herbicide: adsorptive behaviors and mechanism.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2022.109165]

4. Hong Tu, Ying Xu, Shun-shun Chen, Ya Wang, Sheng-xin Guo, Jian Wu.  (2024)  Screening of Ultra-Efficient Visible Light Catalysts via Material Modification to Activate Electron Polarization Inside the Material.  Advanced Energy and Sustainability Research,      [PMID:] [10.1002/aesr.202400175]

5. 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]