CAS 1195-45-5

4-Fluorophenyl isocyanate

Description:

4-Fluorophenyl isocyanate is an organic compound characterized by the presence of both a phenyl group and an isocyanate functional group, with a fluorine atom positioned on the para position of the phenyl ring. Its molecular formula is C7H4FNO, and it has a molecular weight that reflects the combination of these elements. This compound is typically a colorless to pale yellow liquid with a pungent odor, indicative of its reactivity. It is known for its role as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, owing to the isocyanate group, which can participate in nucleophilic addition reactions. 4-Fluorophenyl isocyanate is also sensitive to moisture and can hydrolyze to form corresponding carbamic acids. Safety precautions are essential when handling this compound, as it can be toxic and irritant to the skin, eyes, and respiratory system. Proper storage in a cool, dry place, away from incompatible substances, is crucial to maintain its stability and prevent hazardous reactions.

Formula: C₇H₄FNO

InChI: InChI=1/C7H4FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChI key: InChIKey=DSVGFKBFFICWLZ-UHFFFAOYSA-N

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

Synonyms:

• 1-Fluoro-4-Isocyanatobenzene
• 4-Fluoro-1-isocyanatobenzene
• 4-Fluoroisocyanatobenzene
• 4-Flurophenyl isocyanate
• Benzene, 1-fluoro-4-isocyanato-
• Isocyanic acid, p-fluorophenyl ester
• NSC 82348
• p-Fluorobenzene isocyanate
• p-Fluorophenyl isocyanate
• 4-Fluorophenyl isocyanate
• 4-Fluorophenyl isocyanate, 98+%
• P-FLUORO PHENYL ISOCYANIC ESTER
• AKOS B022528
• ISOCYANIC ACID 4-FLUOROPHENYL ESTER
• 4-Fluorophenyl isocyanate 98%
• 1-Isocyanato-4-fluorobenzene

4-Fluorophenyl Isocyanate

CAS: 1195-45-5

Formula: C₇H₄FNO

Purity: >98.0%(GC)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 137.11

Ref: 3B-I0339

4-Fluorophenyl isocyanate, 98+%

CAS: 1195-45-5

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: C₇H₄FNO

Purity: 98+%

Color and Shape: Clear colorless to pale yellow, Slightly hazy liquid

Molecular weight: 137.11

Ref: 02-A12576

Benzene, 1-fluoro-4-isocyanato-

CAS: 1195-45-5

Formula: C₇H₄FNO

Purity: 97%

Color and Shape: Liquid

Molecular weight: 137.1112

Ref: IN-DA000P7V

4-Fluorophenyl isocyanate

CAS: 1195-45-5

4-Fluorophenyl isocyanate

Formula: C₇H₄FNO

Purity: 98%

Color and Shape: clear. faint to light yellow low melting solid

Molecular weight: 137.11116g/mol

Ref: 54-PC4166

4-Fluorophenyl isocyanate

CAS: 1195-45-5

Formula: C₇H₄FNO

Purity: 97%

Color and Shape: Liquid, Clear or Lightly Hazy Liquid

Molecular weight: 137.113

Ref: 10-F002336

4-Fluorophenyl isocyanate

CAS: 1195-45-5

4-Fluorophenyl isocyanate is a hydroxylated derivative of phenyl isocyanate. It has been shown to have anticancer activity, with an IC50 value of about 50 μM. 4-Fluorophenyl isocyanate can be synthesized by reacting 3-bromopropylamine hydrobromide with hydrogen fluoride in the presence of a carbodiimide. The reaction can be optimized by adding epoxides or carbodiimides, and the best conditions are found to be at pH 10 and room temperature. 4-Fluorophenyl isocyanate binds to the MT2 receptor which leads to activation of G proteins, resulting in increased intracellular cAMP levels.

Formula: C₇H₄FNO

Purity: Min. 95%

Molecular weight: 137.11 g/mol

Ref: 3D-FF07776