657-06-7

Basic information

• Product Name: 2-Chloro-5-(trifluoromethyl)benzoic acid
• Synonyms: RARECHEM AL BO 0356;TIMTEC-BB SBB003328;2-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID;2-Chloro-5-(trifluoromethyl)benzoic acid 98%;2-Chloro-5-(trifluoromethyl)benzoicacid98%;3-Carboxy-4-chlorobenzotrifluoride, 6-Chloro-alpha,alpha,alpha-trifluoro-m-toluic acid;2-chloro-5-(trifluoromethoxy)benzoic acid
• CAS NO: 657-06-7
• Molecular Formula: C₈H₄ClF₃O₂
• Molecular Weight: 224.56
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;C8;Carbonyl Compounds;Carboxylic Acids
• Mol File: 657-06-7.mol

Chemical Properties

• Melting Point: 93-96 °C(lit.)
• Boiling Point: 270.4 °C at 760 mmHg
• Flash Point: 117.3 °C
• Appearance: /
• Density: 1.523 g/cm³
• Vapor Pressure: 0.00338mmHg at 25°C
• Refractive Index: 1.495
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 2.45±0.25(Predicted)
• CAS DataBase Reference: 2-Chloro-5-(trifluoromethyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chloro-5-(trifluoromethyl)benzoic acid(657-06-7)
• EPA Substance Registry System: 2-Chloro-5-(trifluoromethyl)benzoic acid(657-06-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 657-06-7(Hazardous Substances Data)

Usage

Uses

Used in Environmental and Occupational Health Research:
2-Chloro-5-(trifluoromethyl)benzoic acid is used as a surrogate standard for assessing pesticide exposure and household contamination. This application is particularly relevant in the context of agricultural settings, where farmers may be at risk of exposure to various pesticides.
In this role, 2-Chloro-5-(trifluoromethyl)benzoic acid aids researchers and health professionals in:
1. Monitoring pesticide residues in urine and hand wipe samples collected from farmers, providing insights into the extent of exposure to potentially harmful chemicals.
2. Evaluating the effectiveness of safety measures and personal protective equipment in reducing pesticide exposure among agricultural workers.
3. Investigating the potential health risks associated with long-term exposure to pesticides and the presence of pesticide residues in the home environment.
The use of 2-Chloro-5-(trifluoromethyl)benzoic acid as a surrogate standard allows for a more accurate and reliable assessment of pesticide exposure levels, contributing to the development of strategies to minimize health risks and improve the safety of the agricultural workforce.

InChI:InChI=1/C8H4ClF3O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)

Upstream product

• 672-57-1 1-chloro-2-iodo-4-(trifluoromethyl)benzene 
• 201230-82-2 carbon monoxide 
• 98-56-6 4-chlorobenzotrifluoride 
• 454-78-4 3-bromo-4-chlorobenzotrifluoride 
• 124-38-9 carbon dioxide 
• 328-87-0 2-chloro-5-(trifluoromethyl)benzonitrile 

Downstream Products

• 1997-41-7 5-trifluoromethylphthalimide 
• 1858-71-5 2-Chloro-2',5-bis-(trifluoromethyl)-benzophenone 
• 1764-97-2 2-Aminoacetamino-2'.5-bis-trifluormethyl-benzophenon 
• 1163-24-2 2-amino-2',5-bis(trifluoromethyl)benzophenone 
• 164341-28-0 2-Chloro-5-trifluoromethylbenzoylguanidine hydrochloride 
• 438554-44-0 5-nitro-2-(trifluoromethyl)pyridin-4-ol 

Relevant articles and documents

Flow carbonylation of sterically hindered ortho-substituted iodoarenes

The flow synthesis of ortho-substituted carboxylic acids, using carbon monoxide gas, has been studied for a number of substrates. The optimised conditions make use of a simple catalyst system compromising of triphenylphosphine as the ligand and palladium acetate as the pre-catalyst. Carbon monoxide was introduced via a reverse "tube-in-tube" flow reactor at elevated pressures to give yields of carboxylated products that are much higher than those obtained under normal batch conditions.

BENZOTHIAZINONE DERIVATIVES AS ANTI -TUBERCULOSIS AGENTS

Novel benzothiazinone derivatives of formula (I) or pharmaceutically acceptable salts or solvates thereof have been found to be effective against Mycobacterium tuberculosis strains and may thus be useful in the treatment of tuberculosis: wherein EWG (electron withdrawing group) = NO2, CN, CF3, F, Cl, Br, OCF3, OH, OR, OCHF2, COOR, wherein R is hydrogen or a straight or branched C1-C4 alkyl group, X = a bond or a straight or branched C1-C4 alkylene group which may be substituted with a group selected from F, Cl, Br, I or C1-C4 alkoxy; Y = hydrogen, a straight or branched C1-C4 alkyl group, OH or OR, wherein R is hydrogen or a straight or branched C1-C4 alkyl group; n = 0, 1 or 2; R1, R2 = hydrogen or substituent (s) which may be the same or different from each other and are selected from the group consisting of D, F, Cl, Br, CF3, a straight or branched C1-C4 alkyl group, a phenyl group, OR, SR, NR3R4, wherein R, R3, R4 may be the same or different from each other and are hydrogen or a straight or branched C1-C4 alkyl group or a phenyl group.

Benzothiazinone compounds and their use as anti-tuberculosis agents

Novel benzothiazinone derivatives of formula (I) or a pharmaceutically acceptable salt or solvate thereof have been found to be effective against Mycobacterium tuberculosis strains and may thus be useful in the treatment of tuberculosis

NOVEL ANTI-TUBERCULOSIS AGENTS

Novel benzothiazinone derivatives of formula (I) or a pharmaceutically acceptable salt or solvate thereof have been found to be effective against Mycobacterium tuberculosis strains and may thus be useful in the treatment of tuberculosis (I) wherein, EWG (electron withdrawing group) = N02, CN, CF3, F, CI, Br, OCF3, OH, OR, OCHF2, COOR, wherein R is hydrogen, or a straight or branched C1-C4 alkyl group, X = a bond, or a straight or branched C1-C4 alkylene group; Y = a bond, or a straight or branched C1-C4 alkylene group; wherein either one of X or Y is a bond and the other is a Ci-C4-alkylene group, Z = N or C, n = 1 or 2; R1 = hydrogen, a straight or branched C1-C6 alkyl group, or a C3-C6 cycloalkyl group, which may be substituted with a group selected from F, CI, Br, I or a C1-C4 alkoxy; R2 = a phenyl group, a naphthyl group or a thienyl group, each of which may be unsubstituted or substituted with one or more substituent(s) which may be the same or different from each other, selected from the group consisting of F, CI, Br, I, CN, NO2, or a straight or branched C1-C6 alkyl or phenyl group, which may be substituted with a group selected from F, CI, Br, I, or C1-C4 alkoxy.

HSP INDUCTOR

An agent for inducing HSP, comprising a compound represented by the formula (I): ???wherein R1 is a hydrogen atom, a hydrocarbon group which may be substituted, etc.; R2 is absent, a hydrogen atom or a hydrocarbon group which maybe substituted; R3 is a heterocyclic group which may be substituted; X, Y and Z are, respectively, a hydrogen, a halogen, a nitrile, a hydrocarbon group which may be substituted, or X and Y may bind to each other to form ring A, or Y and Z may bind to each other to form ring B; bond portions indicated by a solid line and a broken line are, respectively, a single bond or a double bond, and bond portions indicated by a broken line are, respectively, a single bond or absent; ring A is a homocyclic or heterocyclic 5- to 7-membered ring which may be substituted; ring B is a homocyclic or heterocyclic 5- to 7-membered ring which may be substituted; and n is an integer of 0 or 1, or a salt thereof;

Condensed pyrazole derivatives, process for producing the same and use thereof

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Synthesis of racemic 1,2,3,4-tetrahydroisoquinolines and their resolution

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Reagent-modulated optional site selectivities: The metalation of o-, m- and p-halobenzotrifluorides

Chloro(trifluoromethyl)benzenes and bromo(trifluoromethyl)benzenes undergo deprotonation at a position adjacent to the single halogen substituent when treated with alkyllithiums (at -75°C) and, respectively, lithium 2,2,6,6-tetramethylpiperidide (at -100°C) in tetrahydrofuran. Positional ambiguities, if existing, can be exploited to establish optional site selectivities. Thus, butyllithium reacts with 1-chloro-3-(trifluoromethyl)benzene under hydrogen/metal interconversion at the 2-position whereas sec-butyllithium attacks exclusively the 6-position. The latter mode of regioselectivity is also exhibited by 1-bromo-3-(trifluoromethyl)benzene in the presence of lithium 2,2,6,6-tetramethylpiperidide, only 2-bromo-4-(trifluoromethyl)phenyllithium being produced. 2-Bromo-6-(trifluoromethyl)phenyllithium is directly inaccessible, but is formed when 2-bromo-3-(trifluoromethyl)phenyllithium, generated at -100°C, is allowed to isomerize at -75°C.

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