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126896

Sigma-Aldrich

3-Fluorobenzylamine

97%

Synonym(s):

(3-Fluorophenyl)methanamine, 1-(3-Fluorophenyl)methanamine, 3-Fluorobenzenemethanamine, 3-Fluorophenylmethylamine, m-Fluorobenzylamine

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About This Item

Linear Formula:
FC6H4CH2NH2
CAS Number:
100-82-3
Molecular Weight:
125.14
EC Number:
202-891-3
MDL number:
MFCD00008113
UNSPSC Code:
12352100
eCl@ss:
39040408
PubChem Substance ID:
24847749
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.514 (lit.)

density

1.097 g/mL at 25 °C (lit.)

SMILES string

NCc1cccc(F)c1

InChI

1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2

InChI key

QVSVMNXRLWSNGS-UHFFFAOYSA-N

Related Categories

Application

3-Fluorobenzylamine has been used to study the rate of reaction of benzylamines with 1-Chloro-2,4-dinitrobenzene and toluene-p-sulphonyl chloride. It has also been used in the synthesis of substituted amino-sulfonamide protease inhibitors (PIs) DPC 681 and DPC 684.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

159.8 °F - closed cup

Flash Point(C)

71 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Fischer A, et al.
Journal of the Chemical Society B: Physical Organic, 466-468 (1966)
R F Kaltenbach et al.
Antimicrobial agents and chemotherapy, 45(11), 3021-3028 (2001-10-16)
Human immunodeficiency virus (HIV) protease inhibitors (PIs) are important components of many highly active antiretroviral therapy regimens. However, development of phenotypic and/or genotypic resistance can occur, including cross-resistance to other PIs. Development of resistance takes place because trough levels of
Hua-Li Yang et al.
European journal of medicinal chemistry, 138, 715-728 (2017-07-21)
A series of coumarin-pargyline hybrids (4a-x) have been designed, synthesized and evaluated as novel dual inhibitors of Alzheimer's disease (AD). Most of the compounds exhibited a potent ability to inhibit amyloid-β (Aβ) aggregation and monoamine oxidases. In particular, compound 4x
A Paden King et al.
Dalton transactions (Cambridge, England : 2003), 48(18), 5987-6002 (2019-01-24)
Four cobalt(iii) complexes of the general formula [Co(Schiff base)(L)2]+, where L is ammonia (NH3) or 3-fluorobenzylamine (3F-BnNH2), were synthesized. The complexes were characterized by NMR spectroscopy, mass spectrometry, and X-ray crystallography. Their electrochemical properties, ligand substitution mechanisms, and ligand exchange
Simon H Rüdisser et al.
Journal of biomolecular NMR, 74(10-11), 579-594 (2020-06-20)
Fluorine NMR has recently gained high popularity in drug discovery as it allows efficient and sensitive screening of large numbers of ligands. However, the positive hits found in screening must subsequently be ranked according to their affinity in order to

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