CAS 243128-37-2

4-Fluoro-3-methoxybenzonitrile

Description:

4-Fluoro-3-methoxybenzonitrile, with the CAS number 243128-37-2, is an organic compound characterized by its aromatic structure, which includes a fluorine atom and a methoxy group attached to a benzene ring, along with a nitrile functional group. This compound typically exhibits a white to off-white crystalline appearance and is soluble in organic solvents such as ethanol and acetone, but has limited solubility in water due to its hydrophobic aromatic nature. The presence of the fluorine atom can enhance the compound's lipophilicity and influence its reactivity, making it of interest in various chemical applications, including pharmaceuticals and agrochemicals. The methoxy group contributes to the compound's electronic properties, potentially affecting its reactivity and interaction with biological targets. Additionally, the nitrile group can participate in nucleophilic reactions, making this compound a versatile intermediate in organic synthesis. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₈H₆FNO

InChI: InChI=1S/C8H6FNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3

InChI key: InChIKey=FOWHAPVFVBXMBK-UHFFFAOYSA-N

SMILES: O(C)C1=CC(C#N)=CC=C1F

Synonyms:

• 1-(2-Chloro-6-Fluorobenzyl)-1,4-Diazepane
• 3-Methoxy-4-fluorobenzonitrile
• Benzonitrile, 4-fluoro-3-methoxy-
• 4-Fluoro-3-methoxybenzonitrile

4-Fluoro-3-methoxybenzonitrile

CAS: 243128-37-2

Formula: C₈H₆FNO

Purity: 98%

Color and Shape: Solid

Molecular weight: 151.1377

Ref: IN-DA003LE8

4-Fluoro-3-methoxybenzonitrile

CAS: 243128-37-2

Formula: C₈H₆FNO

Purity: min. 98.0 %(GC)

Color and Shape: White to Light yellow to Light orange powder to crystal

Molecular weight: 151.14

Ref: 3B-F0408

4-Fluoro-3-methoxybenzonitrile

CAS: 243128-37-2

Formula: C₈H₆FNO

Purity: 98%

Color and Shape: White to pale reddish yellow powder

Molecular weight: 151.14

Ref: 10-F033768

4-Fluoro-3-methoxybenzonitrile

CAS: 243128-37-2

4-Fluoro-3-methoxybenzonitrile

Formula: C₈H₆FNO

Purity: 98%

Color and Shape: white to off-white powder

Molecular weight: 151.14g/mol

Ref: 54-PC6788

4-Fluoro-3-methoxybenzonitrile

CAS: 243128-37-2

4-Fluoro-3-methoxybenzonitrile (4FM) is an orally active dihydrobenzofuran derivative that has been optimized for oral bioavailability. The drug is a potent inhibitor of efflux and can be used to lower the oral bioavailability of drugs that are substrates for efflux. 4FM also inhibits heterocycle metabolism, which can be used as a strategy to evolve drugs with improved physicochemical properties. 4FM has shown preclinical efficacy in lowering heterocycle levels, including lowering of methadone levels in humans. The drug is a competitive inhibitor of the enzyme P450 2D6, which is responsible for the metabolism of many drugs. This inhibition may have adverse effects on these drugs and should be monitored closely during treatment with 4FM.

Formula: C₈H₆FNO

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 151.14 g/mol

Ref: 3D-FF70468