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2-Fluorobenzyl isothiocyanate, with the chemical formula C8H6FNS, is a colorless to pale yellow liquid. It is a derivative of benzyl isothiocyanate where a hydrogen atom on the benzene ring is substituted by a fluorine atom. 2-FLUOROBENZYL ISOTHIOCYANATE is recognized for its role in organic synthesis and pharmaceutical research, serving as a key building block for the creation of a variety of organic compounds, especially in the context of drug development. Additionally, it holds potential in agrochemical and herbicide applications.

64382-80-5

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64382-80-5 Usage

Uses

Used in Organic Synthesis:
2-Fluorobenzyl isothiocyanate is utilized as a synthetic intermediate for the preparation of various organic compounds. Its unique structure, featuring a fluorine atom, allows for specific reactivity and selectivity in chemical reactions, making it a valuable component in the synthesis of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 2-Fluorobenzyl isothiocyanate is employed as a building block in the development of new drugs. Its incorporation into drug molecules can influence pharmacokinetic and pharmacodynamic properties, such as solubility, lipophilicity, and receptor binding affinity, which are critical for drug efficacy and safety.
Used in Agrochemicals and Herbicides:
2-Fluorobenzyl isothiocyanate also finds potential applications in the agrochemical sector, particularly in the development of herbicides. Its chemical properties may contribute to the design of novel herbicidal agents that can effectively control weed growth while minimizing environmental impact.
Safety Considerations:

Check Digit Verification of cas no

The CAS Registry Mumber 64382-80-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,4,3,8 and 2 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 64382-80:
(7*6)+(6*4)+(5*3)+(4*8)+(3*2)+(2*8)+(1*0)=135
135 % 10 = 5
So 64382-80-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H6FNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2

64382-80-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Fluorobenzyl isothiocyanate

1.2 Other means of identification

Product number -
Other names 1-fluoro-2-(isothiocyanatomethyl)benzene

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:64382-80-5 SDS

64382-80-5Relevant academic research and scientific papers

Synthesis and cytotoxic evaluation of quinazolin-4(3H)-one derivatives bearing thiocarbamate, thiourea or N-methyldithiocarbamate side Chains

Cao, Sheng-Li,Xu, Hong,Wang, Yao,Liao, Ji,Zhang, Jing-Jing,Li, Zhong-Feng,Guo, Yan-Wen,Li, Xiao-Rong,Cui, Xue-Mei,Xu, Xingzhi

experimental part, p. 163 - 173 (2012/07/31)

We have previously found that the dithiocarbamate derivatives of quinazolin-4(3H)-one could act as cytotoxic agents against a panel of human tumor cell lines. To investigate the contribution of dithiocarbamate moiety to the cytotoxic activity, three series of novel quinazolin-4(3H)-one derivatives bearing thiocarbamate, thiourea or Nmethyldithiocarbamate side chains were synthesized and tested for their cytotoxic activity against human cancer cell lines A549, MCF-7, HeLa, HT29 and HCT-116 by MTT assay. The results showed that transformation of the dithiocarbamate moiety in lead compound I to thiocarbamate or thiourea led to a decrease or loss of cytotoxic activity. Some N-alkylated analogs of lead compound II preferentially inhibited the proliferation of A549 cells, although their potencies were not improved in comparison with the unalkylated counterparts. The structure-activity relationship obtained in this research will be beneficial for further synthesis and discovery of effective cytotoxic agents.

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