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Benzoic acid 4-fluorobutyl ester, also known as 4-fluorobutyl benzoate, is an organic compound with the chemical formula C11H13FO2. It is a colorless liquid ester derived from benzoic acid and 4-fluorobutanol. This ester is characterized by its aromatic benzene ring and a fluorinated butyl chain, which contributes to its unique chemical properties. It is used in various applications, including as a solvent, a fragrance ingredient, and in the synthesis of pharmaceuticals and agrochemicals. The presence of the fluorine atom in the molecule can significantly alter its reactivity and physical properties compared to non-fluorinated analogs, making it a valuable compound in specialized chemical research and industrial processes.

326-49-8

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326-49-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 326-49-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,2 and 6 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 326-49:
(5*3)+(4*2)+(3*6)+(2*4)+(1*9)=58
58 % 10 = 8
So 326-49-8 is a valid CAS Registry Number.
InChI:InChI=1/C11H13FO2/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

326-49-8SDS

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-Fluorobutyl benzoate

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:326-49-8 SDS

326-49-8Downstream Products

326-49-8Relevant academic research and scientific papers

Nickel-catalyzed reductive monofluoroakylation of alkyl tosylate with bromofluoromethane to primary alkyl fluoride

Cui, Ru,Hu, Duo-Duo,Sheng, Jie,Wang, Xi-Sheng,Wu, Bing-Bing,Zheng, Hong-Qian

supporting information, p. 9084 - 9087 (2021/09/14)

A nickel-catalysed direct terminal monofluoromethlyation between alkyl tosylates and a low-cost, industrial raw material bromofluoromethane has been developed. This transformation has demonstrated high efficiency, mild conditions, and good functional-grou

Diversity-Oriented Synthesis of Aliphatic Fluorides via Reductive C(sp3)?C(sp3) Cross-Coupling Fluoroalkylation

Sheng, Jie,Ni, Hui-Qi,Ni, Shan-Xiu,He, Yan,Cui, Ru,Liao, Guang-Xu,Bian, Kang-Jie,Wu, Bing-Bing,Wang, Xi-Sheng

supporting information, p. 15020 - 15027 (2021/06/11)

Monofluorinated alkyl compounds are of great importance in pharmaceuticals, agrochemicals and materials. Herein, we describe a direct nickel-catalyzed monofluoromethylation of unactivated alkyl halides using a low-cost industrial raw material, bromofluoromethane, by demonstrating a general and efficient reductive cross-coupling of two alkyl halides. Results with 1-bromo-1-fluoroalkane also demonstrate the viability of monofluoroalkylation, which further established the first example of reductive C(sp3)-C(sp3) cross-coupling fluoroalkylation. These transformations demonstrate high efficiency, mild conditions, and excellent functional-group compatibility, especially for a range of pharmaceuticals and biologically active compounds. Mechanistic studies support a radical pathway. Kinetic studies reveal that the reaction is first-order dependent on catalyst and alkyl bromide whereas the generation of monofluoroalkyl radical is not involved in the rate-determining step. This strategy provides a general and efficient method for the synthesis of aliphatic fluorides.

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