261951-67-1

Basic information

• Product Name: 3-FLUORO-4-METHYLBENZYLAMINE
• Synonyms: 3-FLUORO-4-METHYLBENZYLAMINE;1-(3-FLUORO-4-METHYLPHENYL)METHANAMINE;RARECHEM AL BW 0786;Benzenemethanamine, 3-fluoro-4-methyl- (9CI)
• CAS NO: 261951-67-1
• Molecular Formula: C₈H₁₀FN
• Molecular Weight: 139.17
• Product Categories: HALIDE;Anilines, Aromatic Amines and Nitro Compounds
• Mol File: 261951-67-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 198 °C at 760 mmHg
• Flash Point: 82.4 °C
• Appearance: /
• Density: 1.05
• Vapor Pressure: 0.368mmHg at 25°C
• Refractive Index: 1.5155
• PKA: 8.95±0.10(Predicted)
• Sensitive: Air Sensitive
• CAS DataBase Reference: 3-FLUORO-4-METHYLBENZYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-FLUORO-4-METHYLBENZYLAMINE(261951-67-1)
• EPA Substance Registry System: 3-FLUORO-4-METHYLBENZYLAMINE(261951-67-1)

Safety Data

• Hazard Codes: C
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 2735
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 261951-67-1(Hazardous Substances Data)

Usage

General Description

3-Fluoro-4-methylbenzylamine is an organic compound with the molecular formula C8H10FN. It is a derivative of benzylamine and contains a fluorine atom and a methyl group attached to the benzene ring. 3-FLUORO-4-METHYLBENZYLAMINE is commonly used as a building block in the synthesis of various pharmaceuticals and fine chemicals. It may also be used as a reagent in organic reactions, such as in the formation of amides, imines, and other nitrogen-containing compounds. 3-Fluoro-4-methylbenzylamine is a colorless liquid with a strong amine odor, and it should be handled with care due to its potential health hazards and toxicity.

InChI:InChI=1/C8H10FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3

Upstream product

• 100-46-9 benzylamine 
• 177756-62-6 3-fluoro-4-methylbenzaldehyde 

Downstream Products

• 1232052-96-8 C₂₄H₃₂FN₅O 
• 1309777-93-2 C₂₈H₃₀F₂N₃O₅^(1-)*Na⁽¹⁺⁾ 
• 1319751-83-1 C₃₂H₃₉F₂N₃O₅ 
• 1624256-23-0 8-(3-fluoro-4-methylbenzyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrazino[2,1-f]purine-2,4(1H,3H)-dione 
• 100-46-9 benzylamine 

Relevant articles and documents

Versatile Dynamic Covalent Assemblies for Probing π-Stacking and Chirality Induction from Homotopic Faces

Herein we report for the first time the use of dynamic covalent reactions (DCRs) for building a π-stacking model system and further quantifying its substituent effects (SEs), which remain a topic of debate despite the rich history of stacking. A general DCR between 10-methylacridinium ion and primary amines was discovered, in which π-stacking played a stabilizing role. Facile quantification of SEs with in situ competing π-stacking systems was next achieved in the form of amine exchange exhibiting structural diversity by simply varying components. The linear correlation with σm in Hammett plots indicates the dominance of purely electrostatic SEs, and the additivity of SEs is in line with the direct interaction model. With α-chiral amines π-stacking within the adduct enabled chirality transfer from homotopic faces. The strategy of dynamic covalent assembly should be appealing to future research of probing weak interactions and manipulating chirality.

New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: Analysis by SARs and computational docking

Structure activity relationships for semicarbazide-sensitive amine oxidase/vascular adhesion protein-1 (SSAO/VAP-1) were studied using a library of arylalkylamine substrates, with the aim of contributing to the discovery of more efficient SSAO substrates. Experimental data were contrasted with computational docking studies, thereby allowing us to examine the mechanism and substrate-binding affinity of SSAO and thus contribute to the discovery of more efficient SSAO substrates and provide a structural basis for their interactions. We also built a model of the mouse SSAO structure, which provides several structural rationales for interspecies differences in SSAO substrate selectivity and reveals new trends in SSAO substrate recognition. In this context, we identified novel efficient substrates for human SSAO that can be used as a lead for the discovery of antidiabetic agents.