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162485

Sigma-Aldrich

2-Fluorobenzylamine

96%

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About This Item

Linear Formula:
FC6H4CH2NH2
CAS Number:
89-99-6
Molecular Weight:
125.14
EC Number:
201-957-9
MDL number:
MFCD00008107
UNSPSC Code:
12352100
eCl@ss:
39040407
PubChem Substance ID:
24849983
NACRES:
NA.22

Assay

96%

form

liquid

refractive index

n20/D 1.517 (lit.)

bp

73-75 °C/13 mmHg (lit.)

density

1.095 g/mL at 25 °C (lit.)

SMILES string

NCc1ccccc1F

InChI

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

InChI key

LRFWYBZWRQWZIM-UHFFFAOYSA-N

Application

2-Fluorobenzylamine was used in synthesis of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine, having anticonvulsant activity. It was also used in synthesis and study of structure-activity relationship of a series of substituted spirohydantoins.

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)

152.6 °F - closed cup

Flash Point(C)

67 °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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9-(2-Fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride. Synthesis and anticonvulsant activity.
J L Kelley et al.
Journal of medicinal chemistry, 29(7), 1133-1134 (1986-07-01)
Martin W Rowbottom et al.
Bioorganic & medicinal chemistry letters, 17(8), 2171-2178 (2007-03-14)
The design, synthesis, and SAR of a series of substituted spirohydantoins are described. Optimization of an in-house screening hit gave compounds that exhibited potent binding affinity and functional activity at MCH-R1.

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