5344-82-1

Basic information

• Product Name: 1-(2-Chlorophenyl)-2-thiourea
• Synonyms: TIMTEC-BB SBB003697;N-(2-CHLOROPHENYL)THIOUREA;2-CHLOROPHENYLTHIOUREA;1-(2-CHLOROPHENYL)-2-THIOUREA;(2-chlorophenyl)-thioure;(o-Chlorophenyl)thiourea;1-(2-Chlorophenyl)thiourea;1-(o-chlorophenyl)-2-thio-ure
• CAS NO: 5344-82-1
• Molecular Formula: C₇H₇ClN₂S
• Molecular Weight: 186.66
• EINECS: 226-291-6
• Mol File: 5344-82-1.mol
• Article Data: 48

Chemical Properties

• Melting Point: 144-149 °C
• Boiling Point: 250°C (rough estimate)
• Flash Point: 131.1 °C
• Appearance: white crystals or powder
• Density: 1.4179 (rough estimate)
• Vapor Pressure: 0.00176mmHg at 25°C
• Refractive Index: 1.6100 (estimate)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 12.34±0.70(Predicted)
• BRN: 776946
• CAS DataBase Reference: 1-(2-Chlorophenyl)-2-thiourea(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-Chlorophenyl)-2-thiourea(5344-82-1)
• EPA Substance Registry System: 1-(2-Chlorophenyl)-2-thiourea(5344-82-1)

Safety Data

• Hazard Codes: T+
• Statements: 28-43-38
• Safety Statements: 45-28A-1-36/37/39-28-22
• RIDADR: 2811
• RTECS: YS7100000
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 5344-82-1(Hazardous Substances Data)

Usage

Chemical Properties

white crystals or powder

General Description

Needles or plates. Used as an herbicide. Not registered as a pesticide in the U.S.

Reactivity Profile

When heated to decomposition 1-(2-Chlorophenyl)-2-thiourea emits very toxic fumes of chlorides, nitrogen oxides, and sulfur oxides. [EPA, 1998]. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid.

Fire Hazard

When heated to decomposition 1-(2-Chlorophenyl)-2-thiourea emits very toxic fumes of chlorides, nitrogen oxides, and sulfur oxides.

InChI:InChI=1/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)

Upstream product

• 95-51-2 o-chloroaniline 
• 53662-47-8 triethylammonium o-chlorophenyl dithiocarbamate salt 
• 45943-14-4 benzoyl isothiocyanate 
• 45765-25-1 (2-chlorophenyl)cyanamide 
• 137-04-2 2-chloroaniline hydrochloride 
• 1147550-11-5 ammonium thiocyanate 
• 21258-05-9 N-benzoyl-N'-(2-chlorophenyl)thiourea 
• 2740-81-0 2-chlorophenylisothiocyanate 
• 333-20-0 potassium thioacyanate 

Downstream Products

• 76488-79-4 (2-chloro-phenyl)-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine 
• 440107-93-7 2-(2-chloro-anilino)-4-methyl-thiazole-5-carboxylic acid ethyl ester 
• 39130-93-3 2-(2-chloro-anilino)-thiazol-4-one 
• 180028-92-6 6-amino-1-(2-chlorophenyl)-2,3-dihydro-2-thioxopyrimidine-4-one 
• 943726-97-4 [zinc(II)(diacetylacetonate)(o-chlorophenylthiourea)] 
• 39130-93-3 (E)-2-((2-chlorophenyl)imino)thiazolidin-4-one 
• 61383-54-8 (2-chloro-phenyl)-[4-(4-fluoro-phenyl)-thiazol-2-yl]-amine 
• 917084-52-7 Acetic acid (2R,3R,4S,5R,6R)-3-acetoxy-6-acetoxymethyl-2-(2-chloro-phenylcarbamimidoylsulfanyl)-5-((2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yl ester 

Relevant articles and documents

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Enterovirus A71 (EV-A71), one of the major pathogens that causes hand, foot and mouth disease (HFMD), has seriously threatened the health and safety of young children. In this study, aminothiazole derivatives were synthesized and screened against EV-A71 in Rhabdomyosarcoma (RD) cells. The best compound (12s), with a biphenyl group, showed activity against EV-A71 (EC50: 0.27 μM) but also against a series of different human enteroviruses without significant cytotoxicity (CC50 > 56.2 μM). Mechanistic studies including time-of-drug-addition assays, viral entry assays and microscale thermophoresis (MST) experiments, showed that 12s binds to EV-A71 capsid and blocks the binding between the viral protein VP1 and the relevant human scavenger receptor class B member 2 (hSCARB2).

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