21714-35-2

Basic information

• Product Name: (2-CHLORO-5-TRIFLUOROMETHYL)PHENYLTHIOUREA
• Synonyms: (2-CHLORO-5-TRIFLUOROMETHYL)PHENYLTHIOUREA;1-(2-CHLORO-5-TRIFLUOROMETHYLPHENYL)-2-THIOUREA;1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]THIOUREA;N-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]THIOUREA;Chlotrifluoromethylphenylthiourea;1-[2-Chloro-5-(trifluoromethyl)phenyl]thiourea 97%;1-[2-Chloro-5-(trifluoromethyl)phenyl]thiourea97%
• CAS NO: 21714-35-2
• Molecular Formula: C₈H₆ClF₃N₂S
• Molecular Weight: 254.66
• Mol File: 21714-35-2.mol
• Article Data: 2

Chemical Properties

• Melting Point: 140-142°C
• Boiling Point: 288.1 °C at 760 mmHg
• Flash Point: 128 °C
• Appearance: /
• Density: 1.562 g/cm³
• Vapor Pressure: 0.00239mmHg at 25°C
• Refractive Index: 1.61
• PKA: 11.91±0.70(Predicted)
• BRN: 2735893
• CAS DataBase Reference: (2-CHLORO-5-TRIFLUOROMETHYL)PHENYLTHIOUREA(CAS DataBase Reference)
• NIST Chemistry Reference: (2-CHLORO-5-TRIFLUOROMETHYL)PHENYLTHIOUREA(21714-35-2)
• EPA Substance Registry System: (2-CHLORO-5-TRIFLUOROMETHYL)PHENYLTHIOUREA(21714-35-2)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 22-36/37/39
• HazardClass: 6.1
• Hazardous Substances Data: 21714-35-2(Hazardous Substances Data)

Usage

General Description

(2-Chloro-5-trifluoromethyl)phenylthiourea is a chemical compound with the molecular formula C7H4ClF3N2S. It is a thiourea derivative with a chloro substituent at the 2 position and a trifluoromethyl group at the 5 position of the phenyl ring. (2-CHLORO-5-TRIFLUOROMETHYL)PHENYLTHIOUREA has been studied for its potential use in pharmaceuticals and agrochemicals due to its diverse biological activities. It has shown promising anti-inflammatory, antitumor, and antimicrobial properties in various research studies. Additionally, it has been investigated for its inhibitory effect on enzymes and its potential as a photochromic material. Overall, (2-Chloro-5-trifluoromethyl)phenylthiourea is a versatile compound with potential applications in various fields of chemistry and biology.

InChI:InChI=1/C8H6ClF3N2S/c9-5-2-1-4(8(10,11)12)3-6(5)14-7(13)15/h1-3H,(H3,13,14,15)

Upstream product

• 121-50-6 3-amino-4-chlorobenzotrifluoride 
• 89069-95-4 N-(2-chloro-5-(trifluoromethyl)phenylcarbamothioyl)benzamide 
• 1147550-11-5 ammonium thiocyanate 

Downstream Products

• 21714-36-3 N-(2-chloro-5-(trifluoromethyl)phenyl)cyanamide 
• 1320341-51-2 C₁₆H₉ClF₃N₃O₂S 

Relevant articles and documents

N′-3-(Trifluoromethyl)phenyl Derivatives of N-Aryl-N′-methylguanidines as Prospective PET Radioligands for the Open Channel of the N-Methyl- d -aspartate (NMDA) Receptor: Synthesis and Structure-Affinity Relationships

N-Methyl-d-aspartate (NMDA) receptor dysfunction has been linked to several neuropsychiatric disorders, including Alzheimer's disease, epilepsy, drug addiction, and schizophrenia. A radioligand that could be used with PET to image and quantify human brain NMDA receptors in the activated "open channel" state would be useful for research on such disorders and for the development of novel therapies. To date, no radioligands have shown well-validated efficacy for imaging NMDA receptors in human subjects. In order to discover improved radioligands for PET imaging, we explored structure-affinity relationships in N′-3-(trifluoromethyl)phenyl derivatives of N-aryl-N′-methylguanidines, seeking high affinity and moderate lipophilicity, plus necessary amenability for labeling with a positron-emitter, either carbon-11 or fluorine-18. Among a diverse set of 80 prepared N′-3-(trifluoromethyl)phenyl derivatives, four of these compounds (13, 19, 20, and 36) displayed desirable low nanomolar affinity for inhibition of [3H](+)-MK801 at the PCP binding site and are of interest for candidate PET radioligand development.