17452-27-6

Basic information

• Product Name: 3-PYRIDYL ISOTHIOCYANATE
• Synonyms: TIMTEC-BB SBB004201;PYRIDINE-3-ISOTHIOCYANATE;3-ISOTHIOCYANATOPYRIDINE;3-PYRIDYL ISOTHIOCYANATE;BUTTPARK 33\08-09;Pyridin-3-yl isothiocyanate;3-Pyridyl isothiocyanate, derivatization grade;3-Pyridyl isothiocyanate 98%
• CAS NO: 17452-27-6
• Molecular Formula: C₆H₄N₂S
• Molecular Weight: 136.17
• Product Categories: Heterocyclic Compounds;C6;Heterocyclic Building Blocks;Pyridines
• Mol File: 17452-27-6.mol
• Article Data: 19

Chemical Properties

• Melting Point: 106.5-108 °C
• Boiling Point: 231-233 °C(lit.)
• Flash Point: 229 °F
• Appearance: /
• Density: 1.22 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0286mmHg at 25°C
• Refractive Index: n20/D 1.665(lit.)
• Storage Temp.: 0-10°C
• PKA: 2.38±0.11(Predicted)
• CAS DataBase Reference: 3-PYRIDYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-PYRIDYL ISOTHIOCYANATE(17452-27-6)
• EPA Substance Registry System: 3-PYRIDYL ISOTHIOCYANATE(17452-27-6)

Safety Data

• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 3334
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 17452-27-6(Hazardous Substances Data)

Usage

Chemical Properties

Yellow liquid

General Description

3-Pyridyl isothiocyanate (Py NCS) is an iothiocyanate derivative. Its enthalpy of vaporization at boiling point (505.15K) is 44.379kjoule/mol.

InChI:InChI=1/C6H4N2S/c9-5-8-6-2-1-3-7-4-6/h1-4H

Upstream product

• 75-44-5 phosgene 
• 462-08-8 pyridin-3-ylamine 
• 16420-13-6 N,N-Dimethylthiocarbamoyl chloride 
• 59754-70-0 Triethylammonium-N-pyrid-3-yl-dithiocarbamate 
• 421-83-0 trifluoromethane sulfonyl chloride 
• 75-15-0 carbon disulfide 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 1436862-83-7 o-phenyl pyridin-3-ylcarbamothioate 
• 463-71-8 thiophosgene 

Downstream Products

• 65304-24-7 N-[3]pyridyl-N'-(toluene-4-sulfonyl)-urea 
• 323588-31-4 4-chloro-N-(2,2,2-trichloro-1-(((3-pyridinylamino)carbothioyl)amino)ethyl)benzamide 
• 900525-37-3 2-cyano-2-(pyridin-3-ylthiocarbamoyl)-thioacetimidic acid 2,4,6-trimethoxy-benzyl ester 
• 651305-77-0 2-cyano-3-mercapto-3-(pyridin-3-ylamino)-thioacrilimidic acid 2,4,6-trimethoxy-benzyl ester 
• 549521-42-8 1-(2,2-dimethyl-propyl)-3-pyridin-3-yl-2-thioxo-imidazolidine-4,5-dione 
• 60560-51-2 1-(2,2-dimethyl-propyl)-3-pyridin-3-yl-thiourea 
• 372096-18-9 N-[4-[(pyridin-3-yl)aminothiocarbonylamino]phenyl]-(2-chloro-5-nitrophenyl)carboxamide 
• 372096-17-8 N-[4-[4-[(pyridin-3-yl)aminothiocarbonylamino]phenyl]phenyl]-(2-chloro-5-nitrophenyl)carboxamide 
• 372096-34-9 N-[4-[2-(pyridin-3-yl)aminothiocarbonylaminoethyl]phenyl]-(2-chloro-5-nitrophenyl)carboxamide 
• 313382-77-3 N-[4-(4-amino-2-phenyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]-N'-(pyridin-3-yl)thiourea 
• 42594-93-4 1-(2-benzylsulfanyl-ethyl)-3-pyridin-3-yl-thiourea 
• 919112-93-9 1-{(1R,2R)-2-(dimethylamino)cyclohexyl}-3-(pyridine-3-yl)thiourea 
• 1010740-02-9 C₁₇H₁₈N₆ 
• 309246-83-1 GVNDNEEGFFSAR 

Relevant articles and documents

Synthesis of thiocarbamoyl fluorides and isothiocyanates using amines with CF3SO2Cl

A practical and efficient method to synthesize thiocarbamyl fluorides and isothiocyanates from amines with trifluoromethanesulfonyl chloride was developed. In the presence of the reducing agent triphenylphosphine and sodium iodide, thiocarbamyl fluorides and isothiocyanates were synthesized from secondary/primary amine in moderate to excellent yields, respectively. A broad scope of substrates and good functional group compatibility were observed.

Triton-B catalyzed one pot multicomponent synthesis of isothiocyanates in non-aqueous medium

A facile and novel method to synthesize isothiocyanides from cyclic and acyclic amines and carbon disulphide in DMSO with Triton-B as catalyst in non-aqueous medium is being reported. The method is less tedious and offers excellent yields. The structures have been elucidated by 1H NMR, 13C NMR and mass spectroscopy.

Method for jointly preparing isothiocyanate and phosphorus, nitrogen and sulfur flame retardants

The invention discloses a method for jointly preparing isothiocyanate and phosphorus, nitrogen and sulfur flame retardants. The method comprises the following steps: taking amine and CS2 as raw materials; generating dithiocarbamate by reacting in a solvent under the existence of alkali; reacting with neopentyl glycol phosphoryl chloride, thereby acquiring an isothiocyanate compound (I); acidizingby-product 1,3,2-phosphorus dioxidehexane thiophosphate (II); generating a salt by reacting with melamine in the solvent, thereby acquiring the phosphorus, nitrogen and sulfur flame retardants (III).According to the method provided by the invention, isothiocyanate and phosphorus, nitrogen and sulfur flame retardants can be jointly prepared; operation is simple and convenient; product yield is high; atom is economical; the prepared phosphorus, nitrogen and sulfur flame retardants (III) have an excellent anti-flaming effect.