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3-Chloro-4-hydroxybenzotrifluoride, also known as 4-Chloro-3-hydroxybenzotrifluoride, is a chemical compound with the molecular formula C7H4ClF3O. It is a colorless to light yellow liquid that is insoluble in water but soluble in organic solvents. 3-Chloro-4-hydroxybenzotrifluoride is recognized for its role as an intermediate in the synthesis of various products, including pharmaceuticals, agrochemicals, and dyes. Due to its chemical properties, it is classified as a hazardous substance that requires careful handling to prevent skin, eye, and respiratory irritation, as well as potential harm if ingested or inhaled. Moreover, it has the potential to negatively impact the environment if not managed properly.

35852-58-5

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35852-58-5 Usage

Uses

Used in Pharmaceutical Industry:
3-Chloro-4-hydroxybenzotrifluoride is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows it to be a versatile building block in the development of new drugs, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Chloro-4-hydroxybenzotrifluoride serves as an intermediate for the production of pesticides and other agricultural chemicals. Its incorporation in these products helps to enhance crop protection and improve overall agricultural yields.
Used in Dye Industry:
3-Chloro-4-hydroxybenzotrifluoride is also utilized as an intermediate in the manufacture of dyes. Its chemical properties make it suitable for the creation of a wide range of colorants used in various industries, including textiles, plastics, and printing inks.
Used in Chemical Research:
Beyond its industrial applications, 3-Chloro-4-hydroxybenzotrifluoride is employed in chemical research for studying reaction mechanisms, exploring new synthetic pathways, and developing innovative chemical processes. Its reactivity and stability make it a valuable compound for scientific investigation and discovery.

Check Digit Verification of cas no

The CAS Registry Mumber 35852-58-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,5,8,5 and 2 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 35852-58:
(7*3)+(6*5)+(5*8)+(4*5)+(3*2)+(2*5)+(1*8)=135
135 % 10 = 5
So 35852-58-5 is a valid CAS Registry Number.
InChI:InChI=1/C7H4ClF3O/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H

35852-58-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Chloro-4-hydroxybenzotrifluoride

1.2 Other means of identification

Product number -
Other names 2-Chloro-4-(trifluoromethyl)phenol

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:35852-58-5 SDS

35852-58-5Relevant academic research and scientific papers

Synthetic method of fomesafen intermediate 2-chloro-4-trifluoromethylphenol

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Paragraph 0025; 0026; 0027; 0028, (2018/04/27)

The invention relates to a synthetic method of fomesafen intermediate 2-chloro-4-trifluoromethylphenol. 4-(Trifluoromethyl)benzaldehyde is used as a reaction material; mCPBA (meta-chloroperoxybenzoicacid) is used as an oxidant to convert 4-(trifluoromethyl)benzaldehyde into 4-(trifluoromethyl)phenol; NCS (N-chlorosuccinimide) is used to subject 4-(trifluoromethyl)benzaldehyde to chlorination to obtain the intermediate 2-chloro-4-trifluoromethylphenol. The method has the advantages that, for instance, the materials are easy to obtain, few byproducts are produced, little pollution is caused, reaction time is short and the yield is high.

Method for synthesizing 2-chlorine-4-trifluoromethyl phenol

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Paragraph 0012; 0013; 0014; 0015, (2018/07/30)

The invention discloses a method for synthesizing 2-chlorine-4-trifluoromethyl phenol. The method comprises the following steps: (1) carrying out an oxidation reaction, namely enabling 4-(trifluoromethyl) benzaldehyde, an organic solvent and an oxidant to react at 0 DEG C or a higher temperature in a reaction container so as to obtain 4-(trifluoromethyl) phenol; (2) carrying out a halogenation reaction, namely in the presence of an inert gas, adding a halogenation reagent and an organic solvent into another reaction container, sequentially adding a catalyst and the 4-(trifluoromethyl) phenol obtained in the step (1) at a low temperature, and stirring at a room temperature to enable the components to react, thereby obtaining 2-chlorine-4-trifluoromethyl phenol. The method is relatively highin raw material availability, relatively less in byproduct amount, low in pollution, and relatively short in reaction time, and has the characteristics that the operation is simple and convenient, products and reaction systems can be easily separated, aftertreatment is convenient and rapid, the obtained product is relatively high in purity, and the like, the yield is greatly improved, and a reliable foundation is provided for industrial production.

Multicomponent multicatalyst reactions (MC)2R: One-pot synthesis of 3,4-dihydroquinolinones

Zhang, Lei,Sonaglia, Lorenzo,Stacey, Jason,Lautens, Mark

supporting information, p. 2128 - 2131 (2013/06/05)

A Rh/Pd/Cu catalyst system led to an efficient synthesis of dihydroquinolinones in one-pot, two operations. The reaction features the first triple metal-catalyzed transformations in one reaction vessel, without any intermediate workup. The conjugate-addition/amidation/amidation reaction sequence is highly modular, divergent, and practical.

Syntheses and bioactivity of o- or p-trifluoromethylphenyl phosphates

Zhou, Xinming,He, Yantao,Wang, Miao,Ding, Yixiang

scheme or table, p. 651 - 659 (2009/11/30)

o- and p-Trifluoromethylphenyl phosphates designed as mechanism-based phosphotyrosine phosphatase inactivators have been prepared. Some of them show herbicidal activities.

Modular synthesis of indoles from imines and o-dihaloarenes or o-chlorosulfonates by a Pd-catalyzed cascade process

Barluenga, Jose,Jimenez-Aquino, Agustin,Aznar, Fernando,Valdes, Carlos

supporting information; experimental part, p. 4031 - 4041 (2009/09/04)

A detailed study of the scope of a new Pd-catalyzed synthesis of indolesfrom 1,2-dihaloarenes and o-halobenzene sulfonates and imines is descri bed. The cascade reaction comprises an imine a-arylation ollowed by an intramolecular C-N bond-forming reaction promoted by the same Pd catalyst. The reaction with 1,2-dibromobenzene shows wide scope and allows the introduction of aryl, alkyl, and vinyl substituents at different positions of the five-membered ring of the indole. The regioselective synthesis of indoles substituted in the six-membered ring can be carried out by employing o-dihalobenzene derivatives with two different halogens, taking advantage of the different reactivities of I, Br, and Cl in oxidative addition reactions. This paper also introduces a method for the efficient cleavage of the N-t-butyl group, thus allowing for the preparation of N-H indoles through the same methodology. Finally, the reaction with o-halosulfonates has been studied. The best substrates are o-chlorononaflates, which lead to indoles in very high yield. The reaction is particularlyappropriate for the synthesis of the challenging 6-substituted indoles. In view of the availability of o-chlorophenols, which are direct precur sors of the chlorononaflates, this reaction represents an efficient entry into indoles substituted in the six-membered ring. The concept is illustrated by the preparation of a 4,6-disubstituted indole from naturally occurring anethole.

NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME

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Page/Page column 98, (2010/11/28)

This present invention relates to novel compounds, isomer thereof or pharmaceutically acceptable salts thereof as vanilloid receptor (Vanilloid Receptor 1; VR1; TRPV1) antagonist; and a pharmaceutical composition containing the same. The present invention provides a pharmaceutical composition for preventing or treating a disease such as pain, inflammatory disease of the joints, neuropathies, HIV-related neuropathy, nerve injury, neurodegeneration, stroke, urinary bladder hypersensitivity including urinary incontinence, cystitis, stomach duodenal ulcer, irritable bowel syndrome (IBS) and inflammatory bowel disease (IBD), fecal urgency, gastro-esophageal reflux disease (GERD), Crohn's disease, asthma, chronic obstructive pulmonary disease, cough, neurotic/allergic/inflammatory skin disease, psoriasis, pruritus, prurigo, irritation of skin, eye or mucous membrane, hyperacusis, tinnitus, vestibular hypersensitivity, episodic vertigo, cardiac diseases such as myocardial ischemia, hair growth-related disorders such as effluvium, alopecia, rhinitis, and pancreatitis.

(2R)-2-Methylchromane-2-carboxylic acids: Discovery of selective PPARα agonists as hypolipidemic agents

Koyama, Hiroo,Boueres, Julia K.,Miller, Daniel J.,Berger, Joel P.,MacNaul, Karen L.,Wang, Pei-Ran,Ippolito, Marc C.,Wright, Samuel D.,Agrawal, Arun K.,Moller, David E.,Sahoo, Soumya P.

, p. 3347 - 3351 (2007/10/03)

A SAR study was conducted on chromane-2-carboxylic acid toward selective PPARα agonisim. As a result, highly potent, and selective PPARα agonists were discovered. The optimized compound 43 exhibited robust lowering of total cholesterol levels in hamster and dog animal models.

Photochemical transformation of acifluorfen under laboratory and natural conditions

Vialaton, Delphine,Baglio, Daniela,Paya-Perez, Ana,Richard, Claire

, p. 372 - 379 (2007/10/03)

Acifluorfen was irradiated in pure water at various excitation wavelengths and pH values. Numerous photoproducts were obtained which were identified by [1H]NMR and /or HPLC-MS/MS. The main reaction pathways were photo-decarboxylation, photo-cleavage of the ether bonding with formation of phenolic compounds, photo-dechlorination and photo-Claisen type rearrangement. Decarboxylation was observed in acidic and neutral media whereas cleavage of the ether bonding dominated in basic media. The photo-Claisen type rearrangement only occurred on excitation at short wavelengths. The quantum yield of photolysis was significantly lower at 313nm (6.1 × 10-5) than at 254nm (2.0 × 10-3). The photoreactivity of acifluorfen was then studied in conditions approaching environmental conditions. Acifluorfen was dissolved in pure water, in water containing humic substances or in a natural water, and exposed to solar light in June at Clermont-Ferrand (latitude 46°N). In pure water, the half-life was estimated at 10 days and photo-decarboxylation accounted for 30% of the conversion. The presence of humic substances (10mg litre-1) did not affect the rate of photo-transformation. However, the half-life of acifluorfen dissolved in the natural water was only 6.8 days.

Clorous Acid Oxidation of Trifluoromethylphenols: Cyclopentenolones by Benzilic Acid Ring Contraction

Blazejewski, Jean-Claude,Dorme, Regine,Wakselman, Claude

, p. 1861 - 1864 (2007/10/02)

The formation of 2-chloro-2-trifluoromethylcyclopentane-1,3-dione (1) in the chlorous acid oxidation of 2- and 3-trifluoromethylphenol is shown to proceed via decarboxylation of 5-chloro-1-hydroxy-4-oxo-5-trifluoromethylcyclopent-2-enecarboxylic acid (4), an isolable compound.

Novel substituted phenyl ethers, process for their preparation, and their use in the preparation of substituted phenols

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, (2008/06/13)

Novel compounds of the general formula STR1 in which X is hydrogen or chlorine, and each of R1, R2, R3 and R4 independently is hydrogen, methyl or ethyl, are useful intermediates in the preparation of the corresponding phenols. They may be prepared by treating a compound of the formula STR2 in which Hal is chlorine or fluorine, with a compound of the formula in the presence of a base.

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