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: O=C=NCC=1C=CC=C(F)C1

Synonyms:

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

Benzene, 1-fluoro-3-(isocyanatomethyl)-

CAS: 102422-56-0

• Formula: C₈H₆FNO
• Purity: 98%
• Color and Shape: Liquid
• Molecular weight: 151.1377

3-Fluorobenzyl isocyanate

CAS: 102422-56-0

• Purity: 98.0%
• Molecular weight: 151.13999938964844

3-Fluorobenzyl isocyanate

CAS: 102422-56-0

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• Formula: C₈H₆FNO
• Purity: Min. 95%
• Color and Shape: Powder
• Molecular weight: 151.14 g/mol