2131-61-5

Basic information

• Product Name: 4-NITROPHENYL ISOTHIOCYANATE
• Synonyms: 1-isothiocyanato-4-nitro-benzen;Isothiocyanic Acid 4-Nitrophenyl Ester;4-Nitrophenyl isothiocyanate,98%;4-Nitrophenyl isothiocyanate, 98% 25GR;4-Nitrophenyl isothiocyanate, 98% 5GR;4-Nitrophenyl isothiocyanate 98%;1-ISOTHIOCYANATO-4-NITROBENZENE;4-NITROPHENYL ISOTHIOCYANATE
• CAS NO: 2131-61-5
• Molecular Formula: C₇H₄N₂O₂S
• Molecular Weight: 180.18
• EINECS: 218-359-9
• Product Categories: Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
• Mol File: 2131-61-5.mol
• Article Data: 52

Chemical Properties

• Melting Point: 110-112 °C(lit.)
• Boiling Point: 137-138 °C11 mm Hg(lit.)
• Flash Point: 137-138°C/11mm
• Appearance: gold powder.
• Density: 1.4360 (rough estimate)
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Storage Temp.: Store at
• Water Solubility: It hydrolyzes with water. Soluble in toluene.
• Sensitive: Moisture Sensitive
• BRN: 640027
• CAS DataBase Reference: 4-NITROPHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-NITROPHENYL ISOTHIOCYANATE(2131-61-5)
• EPA Substance Registry System: 4-NITROPHENYL ISOTHIOCYANATE(2131-61-5)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-42
• Safety Statements: 22-26-36
• RIDADR: 2811
• WGK Germany: 3
• F: 10-21
• TSCA: Yes
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 2131-61-5(Hazardous Substances Data)

Usage

Chemical Properties

yellow crystalline powder

Uses

Different sources of media describe the Uses of 2131-61-5 differently. You can refer to the following data:
1. 4-Nitrophenyl isothiocyanate is used as specializing in synthesizing of organic fine chemicals and pharmaceutical intermediates for use in development and production
2. 4-Nitrophenyl isothiocyanate has been used in the synthesis of:5,6-dimethyl-2-[(4-nitrophenyl)amino]thieno[2,3-d]pyrimidin-4(3H)-one4,5-dimethyl-2-substituted carbamothioylaminothiophene-3-carboxamidesacyclic triazene or zwitterionic dihydropyrimidinium imidothiolate derivatives

General Description

The solid-state reactivity of hydrazine hydrochloride with 4-nitrophenyl isothiocyanate was studied.

InChI:InChI=1/C8H6N2O2S/c11-10(12)8-3-1-7(2-4-8)5-9-6-13/h1-4H,5H2

Upstream product

• 19547-46-7 5-methylsulfanyl-5-naphthalen-1-yl-3-(4-nitro-phenyl)-[1,4,2]oxathiazole 
• 937-32-6 4-nitrobenzenesulfenyl chloride 
• 7677-24-9 trimethylsilyl cyanide 
• 96989-50-3 di-2-pyridyl thionocarbonate 
• 100-01-6 4-nitro-aniline 
• 102368-13-8 1,1'-Thiocarbonyldi-2(1H)-pyridone 
• 1070-70-8 1,4-Butanediol diacrylate 
• 1147550-11-5 ammonium thiocyanate 
• 456-27-9 4-nitrobenzenediazonium tetrafluoroborate 
• 88-11-9 N,N-diethylthiocarbamoyl chloride 
• 75-15-0 carbon disulfide 
• 16420-13-6 N,N-Dimethylthiocarbamoyl chloride 
• 72757-96-1 (4-nitro-phenyl)-dithiocarbamic acid; ammonium salt 
• 421-83-0 trifluoromethane sulfonyl chloride 

Downstream Products

• 108954-27-4 N-(4-nitro-phenyl)-N'-(N-[2]pyridyl-acetimidoyl)-thiourea 
• 111782-25-3 1-(1-naphthalen-1-yl)-3-(4-nitrophenyl)thiourea 
• 1234-28-2 1,3-bis(4-nitrophenyl)thiourea 
• 22937-96-8 1-(4-nitro-phenyl)-3-m-tolyl-thiourea 
• 2037-77-6 5-(4-nitro-anilino)-[1,2,3]thiadiazole-4-carboxylic acid ethyl ester 
• 64892-80-4 (4,4-dimethyl-5-methylene-4,5-dihydro-thiazol-2-yl)-(4-nitro-phenyl)-amine 
• 36908-22-2 3,N-dicyclohexyl-N'-(4-nitro-phenyl)-[1,3]thiazetidine-2,4-diylidenediamine 
• 78721-53-6 N-(4-nitrophenyl)-1-methyl-4-piperazinylthiocarboxamide 
• 126265-86-9 Furan-2-carbothioic acid (4-nitro-phenyl)-amide 
• 84038-72-2 3,3-Dimethyl-1-(4-nitrophenyl)spirodioxolan>-4-thion 
• 125058-17-5 N,N'-Bis-(4-nitro-phenyl)-4λ⁴-[1,2,4]dithiazolo[1,5-b][1,2,4]dithiazole-2,6-diamine 
• 78721-81-0 1-(1H-benzo[d]imidazol-2-yl)-3-(4-nitrophenyl)thiourea 
• 73692-87-2 2-(N-p-Nitrophenyl-thiocarbamoyl)-4,5-dihydro-2H-3-benzothiepin-1-on 
• 78721-55-8 N-(4-nitrophenyl)-4-phenylpiperazine-1-carbothioamide 

Relevant articles and documents

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Anionic fluorescent probe, preparation method and application thereof

The invention discloses an anionic fluorescent probe, and a preparation method and an application thereof. The anionic fluorescent probe is prepared by mixing 1-(4-amino) phenyl-1, 2, 2-triphenylethylene with a phenyl isothiocyanate derivative and carrying out a condensation reaction. The fluorescent probe has selectivity on anions and can be used for quantitatively analyzing the recognized anions.

Discovery of novel USP8 inhibitors via Ubiquitin-Rho-110 fluorometric assay based high throughput screening

USP8, one member of deubiquitinating enzymes (DUBs) families, maintains the ubiquitination level of EGFR and regulates the downstream signaling pathways. The deregulation of USP8 has been implicated in many human diseases, especially in cancer. Therefore, USP8 has been identified as a promising target for drug design. Herein, via high throughput screening based on Ubiquitin-rhodamine-110 (Ubiquitin-Rho-110) fluorometric activity assay, we discovered a novel inhibitor DC-U43. By structure optimization, DC-U43-10 reached a half-maximal inhibitory concentration (IC50) value of 2.6 ± 1.1 μM and exhibited 10-fold selectivity against USP7. The binding between DC-U43-10 and USP8 was validated by surface plasmon resonance (SPR) assay with a KD value of 10.5 ± 3.7 μM. It also inhibited the colony formation of H1975 cells. Hence, DC-U43-10 represents a kind of USP8 inhibitors with novel scaffold and has broad prospects for being a probe for USP8-related academic and clinical research.