4-(Trifluoromethyl)benzylamine - ≥98% , CAS No.3300-51-4

CAS: 3300-51-4 Cat. No.: T109981 Molecular Weight: 175.15 EC Number: 221-971-9 PubChem CID: 76804

GRADE & PURITY ≥98%

Synonyms

4-(Trifluoromethyl)benzylamine Hydrochloride, >/=98% | AC-4177 | AB01000853-01 | FS-1140 | EN300-23486 | U1H | [4-(trifluoromethyl)benzyl]amine | HMS1733E14 | N,N,N'-Trimethylethylenediamin | PRDBLLIPPDOICK-UHFFFAOYSA- | DTXSID60186637 | 4-trifluoromethyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

4-(Trifluoromethyl)benzylamine has been used in the synthesis of 3-[(2,4-dioxothiazolidin-5-yl)methyl]benzamide derivatives.

Specifications

Synonyms

4-(Trifluoromethyl)benzylamine Hydrochloride, >/=98% | AC-4177 | AB01000853-01 | FS-1140 | EN300-23486 | U1H | [4-(trifluoromethyl)benzyl]amine | HMS1733E14 | N, N, N'-Trimethylethylenediamin | PRDBLLIPPDOICK-UHFFFAOYSA- | DTXSID60186637 | 4-trifluoromethyl

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: 504755101
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755101
• Canonical Smiles: C1=CC(=CC=C1CN)C(F)(F)F
• IUPAC Name: [4-(trifluoromethyl)phenyl]methanamine
• InChIKey: PRDBLLIPPDOICK-UHFFFAOYSA-N
• INCHI: 1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
• Isomeric SMILES: C1=CC(=CC=C1CN)C(F)(F)F
• WGK Germany: 3
• PubChem CID: 76804
• Molecular Weight: 175.15
• Reaxy-Rn: 2640698

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Phenylmethylamines Benzylamines Aralkylamines Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Benzylamine - Phenylmethylamine - Aralkylamine - Alkyl fluoride - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air & light & heat sensitive.
• Refractive Index: 1.46
• Flash Point(°F): 167 °F
• Flash Point(°C): 75 °C
• Boil Point(°C): 113°C/40mmHg
• Molecular Weight: 175.150 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 175.061 Da
• Monoisotopic Mass: 175.061 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 136.000
• 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. Hailin Mo, Genlin Wang, Fei Liu, Pingkai Jiang.  (2016)  The influence of the interface between mica and epoxy matrix on properties of epoxy-based dielectric materials with high thermal conductivity and low dielectric loss.  RSC Advances,  6  (86): (83163-83174).  [PMID:] [10.1039/C6RA11763E]

2. Yubing Fu, Song Chen, Xinyu Chen, Haixun Zheng, Xueling Yan, Zelin Liu, Mengtao Wang, Lan Liu.  (2024)  A Hierarchical Energy Dissipated Structure Enabled Strong, Ultra-Tough, and Sustainable Adhesives.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202314561]

3. Yikai Yun, Qing Chang, Jinjian Yan, Yuanyuan Tian, Sijie Jiang, Wenjie Wei, Shaoqun Li, Yuzheng Guo, Jun Yin, Jing Li, Mengyu Chen, Kai Huang, Cheng Li, Rong Zhang.  (2025)  Dimensional engineering of interlayer for efficient large-area perovskite solar cells with high stability under ISOS-L-3 aging test.  Science Advances,  11  (3):   [PMID:39813355] [10.1126/sciadv.adp3112]

4. Ye Meng, Jinshu Huang, Jie Li, Yumei Jian, Song Yang, Hu Li.  (2023)  Enzyme-mimicking single atoms enable selectivity control in visible-light-driven oxidation/ammoxidation to afford bio-based nitriles.  GREEN CHEMISTRY,  25  (11): (4453-4462).  [PMID:] [10.1039/D3GC00968H]

5. Yilin Wang, Sheng Zhou, Zaikai Zhuang, Xueying An, Wenjuan Wu, Bo Jiang, Chaofeng Zhang, Sehrish Manan, Peng Wang, Yongcan Jin.  (2025)  Lignin-Based Therapeutics: Targeting Mitochondrial Pathways in Osteosarcoma.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:40509795] [10.1021/acs.jafc.5c01065]