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4-Chlorobenzoic acid, 3-methylbutyl ester is an organic compound with the chemical formula C12H15ClO2. It is an ester derivative of 4-chlorobenzoic acid, where the hydroxyl group is replaced by a 3-methylbutyl group. 4-Chlorobenzoic acid, 3-methylbutyl ester is characterized by its molecular weight of 226.69 g/mol and a melting point of 40-42°C. It is a colorless to pale yellow liquid with a mild, fruity odor. The ester is used as a fragrance ingredient in various applications, such as perfumes and cosmetics, due to its pleasant scent. It is also known for its potential use as a chemical intermediate in the synthesis of other compounds. However, it is important to note that, like many chemicals, it should be handled with care due to its potential irritant properties.

6942-75-2

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6942-75-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6942-75-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,4 and 2 respectively; the second part has 2 digits, 7 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 6942-75:
(6*6)+(5*9)+(4*4)+(3*2)+(2*7)+(1*5)=122
122 % 10 = 2
So 6942-75-2 is a valid CAS Registry Number.
InChI:InChI=1/C12H15ClO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3

6942-75-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-methylbutyl 4-chlorobenzoate

1.2 Other means of identification

Product number -
Other names 4-Chlorobenzoic acid,3-methylbutyl ester

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:6942-75-2 SDS

6942-75-2Downstream Products

6942-75-2Relevant academic research and scientific papers

Radical C(sp2)-H Trifluoromethylation of Aldehydes in Aqueous Solution

Zhang, Pei,Shen, Haigen,Zhu, Lin,Cao, Weiguo,Li, Chaozhong

supporting information, p. 7062 - 7065 (2018/11/21)

The copper-mediated C(sp2)-H trifluoromethylation of aldehydes is described. The reaction of aldehydes with (bpy)Cu(CF3)3, Et3SiH, and K2S2O8 in aqueous acetone at room temperatu

Scalable, Electrochemical Oxidation of Unactivated C-H Bonds

Kawamata, Yu,Yan, Ming,Liu, Zhiqing,Bao, Deng-Hui,Chen, Jinshan,Starr, Jeremy T.,Baran, Phil S.

supporting information, p. 7448 - 7451 (2017/06/13)

A practical electrochemical oxidation of unactivated C-H bonds is presented. This reaction utilizes a simple redox mediator, quinuclidine, with inexpensive carbon and nickel electrodes to selectively functionalize "deep-seated" methylene and methine moieties. The process exhibits a broad scope and good functional group compatibility. The scalability, as illustrated by a 50 g scale oxidation of sclareolide, bodes well for immediate and widespread adoption.

The first general and selective palladium(II)-catalyzed alkoxycarbonylation of arylboronates: Interplay among benzoquinone-ligated palladium(0) complex, organoboron, and alcohol solvent

Yamamoto, Yoshihiko

supporting information; experimental part, p. 478 - 492 (2010/07/03)

Methoxycarbonylation of aryl- and alken-ylboron compounds was performed using the palladium (II) acetate/triphenylphosphine [PdACHTUNGTRENNUNG(OAc) 2/PPh3] catalyst with p-benzoquinone as a stoichiometric oxidant in methanol at ambient temperature to obtain the corresponding methyl esters in good yields. A wide variety of functional groups including various carbonyl functionalities, nitrile, nitro, sulfone, and unprotected pyrrole rings were tolerated in the methoxycarbonlation, while the use of higher alcohols except for tert-butanol afforded various pchlorobenzoates in moderate to high yields. The catalytic alkoxycarbonylation proceeded without any acid or base additive, and an oxidative transmetalation step is proposed to explain the exceptional efficacy of this protocol. DFT and MP2 calculations support the proposed mechanism.

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