4-CHLOROPHENYL ISOTHIOCYANATE Chemical Properties

Melting point:

42-44 °C(lit.)

Boiling point:

135-136 °C24 mm Hg(lit.)

Density 

1.3181 (rough estimate)

refractive index 

1.6100 (estimate)

Flash point:

110 °C

storage temp. 

Refrigerator (+4°C)

form 

powder to crystal

color 

White to Light yellow

Sensitive 

Moisture Sensitive

BRN 

471610

InChIKey

MZZVFXMTZTVUFO-UHFFFAOYSA-N

CAS DataBase Reference

2131-55-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

T

Risk Statements 

23/24-36/37/38-42-42/43-23/24/25

Safety Statements 

22-26-36/37/39-45-36/37

RIDADR 

UN 2206 6.1/PG 2

WGK Germany 

3

RTECS 

NX8473000

F 

10-21-19

HazardClass 

8

PackingGroup 

III

HS Code 

29309090

MSDS

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

4-CHLOROPHENYL ISOTHIOCYANATE Usage And Synthesis

Chemical Properties

light yellow crystalline mass

Uses

4-Chlorophenyl isothiocyanate has been used in the synthesis of thiosemicarbazides. It was also used as building block for the synthesis of N-alkylated 2-arylaminobenzimidazoles.

Synthesis Reference(s)

Chemistry Letters, 6, p. 573, 1977
Organic Syntheses, Coll. Vol. 1, p. 165, 1941
Tetrahedron Letters, 38, p. 1597, 1997 DOI: 10.1016/S0040-4039(97)00121-4

Purification Methods

Check the IR first to see if free from OH frequencies. Triturate it with pet ether (b 30-60o) and decant the solvent. Repeat this 5times. The combined extracts are evaporated under reduced pressure to give almost pure compound as a readily crystallisable oil with a pleasant anise odour. It can be recrystallised from the minimum volume of EtOH at 50o (do not boil too long as it could react). It can be purified by vacuum distillation. [van der Kerk et al. Org Synth Coll Vol V 223 1973, Beilstein 12 IV 1214.] It is an IRRITANT and causes dermatitis; use gloves.

4-CHLOROPHENYL ISOTHIOCYANATE(2131-55-7)Related Product Information

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