CAS 404-72-8

3-Fluorophenyl isothiocyanate

Description:

3-Fluorophenyl isothiocyanate is an organic compound characterized by the presence of both a fluorine atom and an isothiocyanate functional group attached to a phenyl ring. Its molecular structure features a phenyl group substituted at the meta position with a fluorine atom and a reactive isothiocyanate group (-N=C=S). This compound is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its reactivity, particularly in nucleophilic substitution reactions, making it useful in organic synthesis and as a building block in the development of pharmaceuticals and agrochemicals. The isothiocyanate group is known for its ability to form thioureas and other derivatives upon reaction with amines and alcohols. Additionally, 3-fluorophenyl isothiocyanate may exhibit biological activity, which can be of interest in medicinal chemistry. As with many isothiocyanates, it should be handled with care due to potential toxicity and irritant properties. Proper safety precautions are essential when working with this compound in a laboratory setting.

Formula: C₇H₄FNS

InChI: InChI=1S/C7H4FNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

InChI key: InChIKey=HDBACITVPQEAGG-UHFFFAOYSA-N

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

Synonyms:

• 1-Fluoro-3-Isothiocyanatobenzene
• Benzene, 1-fluoro-3-isothiocyanato-
• Brn 2081172
• Isothiocyanic acid, m-fluorophenyl ester
• Nsc 78432
• m-Fluorophenyl isothiocyanate
• 3-Fluorophenyl isothiocyanate

3-Fluorophenyl isothiocyanate, 97+%

CAS: 404-72-8

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₇H₄FNS

Purity: 97+%

Color and Shape: Clear colorless to yellow, Liquid

Molecular weight: 153.17

Ref: 02-B25001

3-Fluorophenyl isothiocyanate

CAS: 404-72-8

Formula: C₇H₄FNS

Purity: 97%

Color and Shape: Liquid

Molecular weight: 153.1768

Ref: IN-DA003JHL

3-Fluorophenyl isothiocyanate

CAS: 404-72-8

3-Fluorophenyl isothiocyanate

Formula: C₇H₄FNS

Purity: ≥95%

Color and Shape: clear. almost colourless liquid

Molecular weight: 153.18g/mol

Ref: 54-PC10393

Benzene, 1-fluoro-3-isothiocyanato-

CAS: 404-72-8

Benzene, 1-fluoro-3-isothiocyanato- is a bioactive chemical.

Formula: C₇H₄FNS

Purity: 98%

Color and Shape: Yellow Liquid

Molecular weight: 153.17

Ref: TM-T21177

3-Fluorophenyl isothiocyanate

CAS: 404-72-8

Formula: C₇H₄FNS

Purity: 97%

Color and Shape: Liquid

Molecular weight: 153.17

Ref: 10-F001386