CAS 102422-56-0

1-Fluoro-3-(isocyanatomethyl)benzene

Description:

1-Fluoro-3-(isocyanatomethyl)benzene, with the CAS number 102422-56-0, is an organic compound characterized by the presence of a fluorine atom and an isocyanatomethyl group attached to a benzene ring. This compound features a fluorobenzene structure, where the fluorine substituent is located at the meta position relative to the isocyanatomethyl group. The isocyanatomethyl group (-N=C=O) is known for its reactivity, particularly in forming urethane linkages and participating in nucleophilic addition reactions. The presence of the fluorine atom can influence the compound's electronic properties, potentially enhancing its reactivity and solubility in various solvents. Additionally, the compound may exhibit unique physical properties, such as boiling and melting points, which are influenced by its molecular structure and intermolecular interactions. Due to its functional groups, 1-Fluoro-3-(isocyanatomethyl)benzene may find applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. However, handling precautions should be observed due to the potential toxicity associated with isocyanates.

Formula: C₈H₆FNO

InChI: InChI=1S/C8H6FNO/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2

InChI key: InChIKey=PHRJTGPFEAUEBC-UHFFFAOYSA-N

SMILES: C(N=C=O)C1=CC(F)=CC=C1

Synonyms:

• 1-Fluoro-3-(isocyanatomethyl)benzene
• 5-Fluorobenzylisocyanate
• Benzene, 1-fluoro-3-(isocyanatomethyl)-
• 3-Fluorobenzyl isocyanate

3-Fluorobenzyl Isocyanate

CAS: 102422-56-0

3-Fluorobenzyl Isocyanate

Formula: C₈H₆FNO

Purity: 98%

Molecular weight: 151.14

Ref: 54-PC109177

3-Fluorobenzylisocyanate

CAS: 102422-56-0

Formula: C₈H₆FNO

Purity: 98%

Color and Shape: Liquid

Molecular weight: 151.1377

Ref: IN-DA0007G4

3-Fluorobenzyl isocyanate

CAS: 102422-56-0

3-Fluorobenzyl isocyanate is a potent inhibitor of glycogen synthase kinase-3β (GSK-3β). GSK-3β is a serine/threonine protein kinase that plays an important role in the regulation of glycogen metabolism, cell cycle progression, and apoptosis. 3-Fluorobenzyl isocyanate blocks the phosphorylation site on GSK-3β's ATP binding site and inhibits its activity. This drug also has inhibitory effects on x-ray irradiation induced hyperphosphorylation of tau protein in Alzheimer's disease patients. 3-Fluorobenzyl isocyanate has been shown to form co-crystals with oxadiazole derivatives, which may be due to their structural similarity. The co-crystal structure of 3-fluorobenzyl isocyanate and oxadiazole derivatives was determined using x-ray diff

Formula: C₈H₆FNO

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 151.14 g/mol

Ref: 3D-FF96949

3-Fluorobenzyl isocyanate

CAS: 102422-56-0

Formula: C₈H₆FNO

Purity: 98%(GC);RG

Molecular weight: 151.14

Ref: 10-F024285