3,5-Difluoroaniline - ≥98% , CAS No.372-39-4

CAS: 372-39-4 Cat. No.: D123407 Molecular Weight: 129.11 Beilstein Registry Number: 2802286 EC Number: 206-752-8

GRADE & PURITY ≥98%

Synonyms

magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate | SCHEMBL427347 | 3,5 difluoroaniline | 5AN | 5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno(3,2-c)pyridin-2(4h)-one | FT-0614587 | A25250 | Q27094167 | BP-11914 | 3,5-Difl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

In vitro nephrotoxic effects of 3,5-difluoroaniline has been investigated in renal cortical slices obtained from the kidneys of untreated, male Fischer 344 rats.

Specifications

Synonyms

magnesium;(2R, 3S, 4R, 5R)-2, 3, 4, 5, 6-pentahydroxyhexanoate | SCHEMBL427347 | 3, 5 difluoroaniline | 5AN | 5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5, 6, 7, 7a-tetrahydrothieno(3, 2-c)pyridin-2(4h)-one | FT-0614587 | A25250 | Q27094167 | BP-11914 | 3, 5-Difl

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756325
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756325
• Canonical Smiles: C1=C(C=C(C=C1F)F)N
• IUPAC Name: 3,5-difluoroaniline
• InChIKey: KQOIBXZRCYFZSO-UHFFFAOYSA-N
• INCHI: 1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
• Isomeric SMILES: C1=C(C=C(C=C1F)F)N
• WGK Germany: 3
• Molecular Weight: 129.11
• Beilstein: 2802286
• Reaxy-Rn: 2802286
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802286&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: Insoluble in water; Soluble in Toluene
• Sensitivity: air & light sensitive
• Flash Point(°F): 167 °F
• Flash Point(°C): 75°C(167°F)
• Boil Point(°C): 82°C/20mmHg
• Melt Point(°C): 37.0-41.0°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. 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]