3-(Trifluoromethyl)benzylamine - ≥98% , CAS No.2740-83-2

CAS: 2740-83-2 Cat. No.: T122774 Molecular Weight: 175.15 Beilstein Registry Number: 1102465 EC Number: 220-367-2 PubChem CID: 75962

GRADE & PURITY ≥98%

Synonyms

(S)-2-(Trans-4-isopropylcyclohexanecarboxamido)-3-phenylpropanoic acid | [3‐(trifluoromethyl)phenyl]methanamine (Hit 8) | AC-9773 | 8N86XTF9QD | MFCD00008117 | NOHDXGGQMMQXCO-UHFFFAOYSA-N | Z54750233 | 3-Trifluoromethyl benzylamine | CK2429 | DTXSID001818

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Application:

3-(Trifluoromethyl)benzylamine has been used in the preparation of 6-substituted purines.

Specifications

Synonyms

(S)-2-(Trans-4-isopropylcyclohexanecarboxamido)-3-phenylpropanoic acid | [3‐(trifluoromethyl)phenyl]methanamine (Hit 8) | AC-9773 | 8N86XTF9QD | MFCD00008117 | NOHDXGGQMMQXCO-UHFFFAOYSA-N | Z54750233 | 3-Trifluoromethyl benzylamine | CK2429 | DTXSID001818

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC(=C1)C(F)(F)F)CN
• IUPAC Name: [3-(trifluoromethyl)phenyl]methanamine
• InChIKey: YKNZTUQUXUXTLE-UHFFFAOYSA-N
• INCHI: 1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
• Isomeric SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN
• WGK Germany: 2
• PubChem CID: 75962
• Molecular Weight: 175.15
• Beilstein: 1102465

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.463
• Flash Point(°F): 159.8 °F
• Flash Point(°C): 71°C(159°F)
• Boil Point(°C): 93-97°C/28mmHg
• Molecular Weight: 175.150 g/mol
• XLogP3: 2.000
• 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: 144.000
• 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. 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]