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Merck
CN

126896

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
PubChem Substance ID:
24847749
eCl@ss:
39040408
UNSPSC Code:
12352100
NACRES:
NA.22
EC Number:
202-891-3
MDL number:
MFCD00008113

Key Documents

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Product Name

3-Fluorobenzylamine, 97%

InChI key

QVSVMNXRLWSNGS-UHFFFAOYSA-N

InChI

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

SMILES string

NCc1cccc(F)c1

assay

97%

form

liquid

refractive index

n20/D 1.514 (lit.)

density

1.097 g/mL at 25 °C (lit.)

functional group

amine
fluoro

Quality Level

100

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

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

159.8 °F - closed cup

flash_point_c

71 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
0000428357
0000428357
0000173812
0000173812
MKCS2350

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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
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
Fischer A, et al.
Journal of the Chemical Society B: Physical Organic, 466-468 (1966)
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
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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