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1-tert-butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate is a complex organic compound with the molecular formula C21H16F6N2O2S. It is characterized by a pyrazole ring, which is substituted with a tert-butyl group at the 1-position, a methyl group at the 3-position, and a pentafluorophenylsulfanyl group at the 4-position. The 5-position of the pyrazole is connected to a 2-fluorobenzoate group, which adds to the molecule's complexity. 1-tert-butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate is likely to be used in advanced chemical research or as an intermediate in the synthesis of pharmaceuticals or other specialty chemicals, given its intricate structure and functional groups.

6235-62-7

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6235-62-7 Usage

Molecular structure

1-tert-butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate is a complex organic compound that consists of a pyrazole ring, a tert-butyl group, a methyl group, a pentafluorophenylsulfanyl substituent, and a 2-fluorobenzoate ester group.

Presence of pyrazole ring

The compound contains a pyrazole ring, which is a five-membered heterocyclic ring with two nitrogen atoms and one double bond. Pyrazole rings are known to exhibit various biological and physical properties, making them important in pharmaceuticals, agrochemicals, and materials sciences.

Tert-butyl and methyl groups

The compound has a tert-butyl and a methyl group attached to the pyrazole ring. These alkyl groups can influence the compound's chemical reactivity, stability, and solubility.

Pentafluorophenylsulfanyl substituent

A pentafluorophenylsulfanyl group is connected to the pyrazole ring, which consists of a phenyl ring with five fluorine atoms and a sulfur atom. This substituent can impart unique chemical and physical properties to the compound, such as increased stability and reactivity.

2-fluorobenzoate ester group

The compound also contains a 2-fluorobenzoate ester group, which is a benzoic acid derivative with a fluorine atom at the 2-position and an ester functional group. This group can influence the compound's solubility, reactivity, and potential applications.

Potential applications

Due to the presence of the pyrazole and fluorine-containing groups, 1-tert-butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate may have potential applications in pharmaceuticals, agrochemicals, or materials sciences. However, further research and testing are necessary to determine the specific uses and properties of 1-tert-butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate.

Check Digit Verification of cas no

The CAS Registry Mumber 6235-62-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,2,3 and 5 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 6235-62:
(6*6)+(5*2)+(4*3)+(3*5)+(2*6)+(1*2)=87
87 % 10 = 7
So 6235-62-7 is a valid CAS Registry Number.

6235-62-7SDS

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-tert-butyl-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanylpyrazol-3-yl] 2-fluorobenzoate

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 -
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More Details:6235-62-7 SDS

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