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3-Methoxy-4-fluorobenzyl cyanide, also known as 2-(4-Fluoro-3-methoxyphenyl)acetonitrile, is an organic compound characterized by the presence of a methoxy and fluoro substituent on a benzene ring, with a cyanide group attached to a benzyl moiety. This unique structure endows it with specific chemical properties that make it a valuable intermediate in the synthesis of various pharmaceuticals and agrochemicals.

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  • 850565-37-6 Structure
  • Basic information

    1. Product Name: 3-Methoxy-4-fluorobenzyl cyanide
    2. Synonyms: 2-(4-fluoro-3-Methoxyphenyl)acetonitrile;4-Fluoro-3-Methoxybenzylcyanide
    3. CAS NO:850565-37-6
    4. Molecular Formula: C9H8FNO
    5. Molecular Weight: 165.17
    6. EINECS: N/A
    7. Product Categories: Fluorine series
    8. Mol File: 850565-37-6.mol
  • Chemical Properties

    1. Melting Point: 49-50 °C
    2. Boiling Point: 278.5 °C at 760 mmHg
    3. Flash Point: 122.2 °C
    4. Appearance: /
    5. Density: 1.148 g/cm3
    6. Vapor Pressure: 0.00426mmHg at 25°C
    7. Refractive Index: 1.501
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-Methoxy-4-fluorobenzyl cyanide(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-Methoxy-4-fluorobenzyl cyanide(850565-37-6)
    12. EPA Substance Registry System: 3-Methoxy-4-fluorobenzyl cyanide(850565-37-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 850565-37-6(Hazardous Substances Data)

850565-37-6 Usage

Uses

Used in Pharmaceutical Industry:
3-Methoxy-4-fluorobenzyl cyanide is used as a key intermediate in the synthesis of melatonin receptor agonists. These agonists have potential therapeutic applications in treating sleep disorders, circadian rhythm regulation, and other conditions related to melatonin signaling.
Used in Agrochemical Industry:
3-Methoxy-4-fluorobenzyl cyanide can also be utilized as a building block in the development of agrochemicals, such as insecticides and herbicides, due to its ability to interact with specific biological targets in pests and weeds. Its unique structure allows for the design of novel compounds with improved efficacy and selectivity.

Check Digit Verification of cas no

The CAS Registry Mumber 850565-37-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,5,0,5,6 and 5 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 850565-37:
(8*8)+(7*5)+(6*0)+(5*5)+(4*6)+(3*5)+(2*3)+(1*7)=176
176 % 10 = 6
So 850565-37-6 is a valid CAS Registry Number.
InChI:InChI=1/C9H8FNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,6H,4H2,1H3

850565-37-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Fluoro-3-methoxyphenylacetonitrile

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:850565-37-6 SDS

850565-37-6Relevant articles and documents

Fluorine substituted methoxyphenylalkyl amides as potent melatonin receptor agonists?

Tsotinis, Andrew,Kompogennitaki, Rodanthi,Papanastasiou, Ioannis,Garratt, Peter J.,Bocianowska, Alina,Sugden, David

, p. 460 - 464 (2019)

A series of fluorine substituted methoxyphenylalkyl amides were prepared with different orientations of the fluorine and methoxy groups with respect to the alkylamide side chain and with alkyl sides of differing lengths (n = 1-3). β-Dimethyl and α-methyl

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