Benzoyl isothiocyanate Chemical Properties

Melting point:

128 °C

Boiling point:

128-131 °C/15 mmHg (lit.)

Density 

1.214 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.6354(lit.)

Flash point:

>230 °F

storage temp. 

2-8°C

solubility 

Chloroform

form 

Liquid

color 

Clear yellow to orange-brown

Specific Gravity

1.214

Water Solubility 

almost insoluble

Sensitive 

Moisture Sensitive/Lachrymatory

Merck 

14,1114

BRN 

606716

CAS DataBase Reference

532-55-8(CAS DataBase Reference)

NIST Chemistry Reference

Benzoyl isothiocyanate(532-55-8)

Safety Information

Hazard Codes 

T,Xi

Risk Statements 

25-32-36-43-42/43-36/37/38-20/21/22

Safety Statements 

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

RIDADR 

UN 2810 6.1/PG 3

WGK Germany 

3

Hazard Note 

Lachrymatory/Moisture Sensitive

TSCA 

T

HazardClass 

6.1

PackingGroup 

III

HS Code 

29309070

MSDS

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

Benzoyl isothiocyanate Usage And Synthesis

Chemical Properties

CLEAR YELLOW TO ORANGE-BROWN LIQUID

Uses

Benzoyl isothiocyanate has been used in the preparation of:

• 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea, new thiourea derivative
• guanine

Purification Methods

Distil the isothiocyanate over a small amount of P2O5, whereby the distillate crystallises in prisms. It is readily hydrolysed by H2O to give benzamide and benzoylurea, but with NH3 it gives benzoylurea m 210o which can be recrystallised from EtOH. [Hill & Degnan J Am Chem Soc 62 1595 1940, Terss & McEwen J Am Chem Soc 76 580 1954, Frank & Smith Org Synth Coll Vol III 735 1955, Beilstein 9 IV 777.]

Benzoyl isothiocyanate(532-55-8)Related Product Information

• 1,2-Benzenedicarboxylic acid di-C9-11-branched alkyl esters C10-rich
• 1,4-PHENYLENE DIISOTHIOCYANATE
• Benzoyl peroxide
• Phenyl isothiocyanate
• Diisononyl phthalate
• Benzoyl cyanide
• Ethyl benzoylacetate
• Methyl benzoylformate
• Phenyl isocyanate
• 4-METHYLBENZOYL ISOTHIOCYANATE
• 3-NITROBENZOYL ISOTHIOCYANATE
• 3,4,5-trimethoxybenzoyl isothiocyanate
• 3-METHYLBENZYL ISOTHIOCYANATE
• 4-NITROBENZOYL ISOTHIOCYANATE
• 4-METHOXYBENZOYL ISOTHIOCYANATE
• 2-METHYLBENZOYL ISOTHIOCYANATE
• 3-CHLOROBENZOYL ISOTHIOCYANATE
• 2-CHLOROBENZOYL ISOTHIOCYANATE