2,6-DICHLOROPHENYL ISOTHIOCYANATE Chemical Properties

Melting point:

38-42 °C(lit.)

Boiling point:

122-124°C 8mm

Density 

1.37±0.1 g/cm3(Predicted)

Flash point:

>230 °F

storage temp. 

2-8°C

form 

solid

Sensitive 

Moisture Sensitive

BRN 

639061

InChI

1S/C7H3Cl2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H

InChIKey

SUCGVQHNGIQXGD-UHFFFAOYSA-N

SMILES

Clc1cccc(Cl)c1N=C=S

CAS DataBase Reference

6590-95-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

C

Risk Statements 

34

Safety Statements 

26-36/37/39-45

RIDADR 

UN 3261 8/PG 3

WGK Germany 

3

HazardClass 

6.1

PackingGroup 

II

HS Code 

2930909899

Storage Class

8A - Combustible corrosive hazardous materials

Hazard Classifications

Skin Corr. 1B

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2,6-DICHLOROPHENYL ISOTHIOCYANATE Usage And Synthesis

Uses

2,6-Dichlorophenyl isothiocyanate may be used as a precursor to synthesize 1-(2-aminoethyl)-2-cyano-3-(2,6-dichlorophenyl)guanidine.

Synthesis Reference(s)

Tetrahedron Letters, 34, p. 8283, 1993 DOI: 10.1016/S0040-4039(00)61411-9

General Description

2,6-Dichlorophenyl isothiocyanate is an isothiocyanate derivative. It has been synthesized by using 2,6-dichlorobenzaldehyde oxime as a starting reagent.

Synthesis

2.00 mmol 2,6-dichlorophenyl dithiocarbamic acid triethylammonium salt was added to a 50 mL aubergine flask, 8.00 mL of acetonitrile, 4.0 mmol of triethylamine were added sequentially, and then stirred at 0??C. During stirring, 1.00 mmol of bis-tribromo 1,3-dipyridinium salts propane was added in batches, and then the reaction was held at 0??C for 30 min after addition, and then raised to room temperature for stirring, and the reaction was carried out by TLC (thin layer chromatography). During the reaction, the reaction was detected by TLC (thin layer chromatography, unfolding agent: petroleum ether), and the reaction was found to be complete by TLC at 16 h. The reaction was then extracted and filtered, and the obtained filter cake was recycled (for the recycling method, see Example of recycling of bis-tribromo-1,3-dipyridinium salts of propane), and the obtained filtrate was concentrated, and the concentrated filtrate was subjected to column chromatography, and a yellow solid was obtained as 2,6-dichloroisothiocyanato phenyl ester (0.129 g, 29.5%), m.p. = 40-41 ??C.

2,6-DICHLOROPHENYL ISOTHIOCYANATE(6590-95-0)Related Product Information

• Phenethyl isothiocyanate
• 2,5-DICHLOROPHENYL ISOTHIOCYANATE
• 2,4-DICHLOROPHENYL ISOTHIOCYANATE
• 3,4-DICHLOROPHENYL ISOTHIOCYANATE
• 2,3-DICHLOROPHENYL ISOTHIOCYANATE
• 3,5-DICHLOROPHENYL ISOTHIOCYANATE,3,5-Dichlorophenyl isothiocyanate, 98+%