4-Methylphenyl isothiocyanate Chemical Properties

Melting point:

25-26 °C (lit.)

Boiling point:

237 °C (lit.) 62 °C/0.3 mmHg (lit.)

Density 

1.1442 (rough estimate)

refractive index 

n20/D 1.6345(lit.)

Flash point:

107 °C

storage temp. 

Store below +30°C.

form 

powder to lump

color 

White to Light yellow

Water Solubility 

MAY DECOMPOSE

Sensitive 

Moisture Sensitive

BRN 

386032

InChIKey

ABQKHKWXTUVKGF-UHFFFAOYSA-N

CAS DataBase Reference

622-59-3(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, 1-isothiocyanato-4-methyl-(622-59-3)

Safety Information

Hazard Codes 

Xn,T

Risk Statements 

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

Safety Statements 

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

RIDADR 

UN 2811 6.1/PG 2

WGK Germany 

3

RTECS 

NX9500000

F 

10-21

HazardClass 

6.1

PackingGroup 

III

HS Code 

29309090

MSDS

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

4-Methylphenyl isothiocyanate Usage And Synthesis

Chemical Properties

clear light yellow liquid after melting

Uses

p-Tolyl isothiocyanate has been used in the preparation of 6-[1-amino-3-(p-tolyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione. It is used as capping agent to cap the N-terminal ends of polypeptide. It is also used as pharmaceutical intermediate.

Uses

p-Tolyl isothiocyanate has been used:

• in the preparation of 6-[1-amino-3-(p-tolyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione
• as capping agent to cap the N-terminal ends of polypeptides

General Description

p-Tolyl isothiocyanate reacts with 6-hydroxy-2,4,5-triaminopyrimidine or with 4,5,6-triaminopyrimidine in DMF and triethylamine to yield 2,4-diamino-5-(p-tolylthioureido)aminopyrimidin-6-one and 4,6-diamino-5-(tolylthioureido)aminopyrimidine, respectively.

4-Methylphenyl isothiocyanate(622-59-3)Related Product Information

• Phenyl isothiocyanate
• Fluorescein isothiocyanate
• 1,4-PHENYLENE DIISOTHIOCYANATE
• 2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE
• 4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
• 2-BROMO-4-METHYLPHENYL ISOTHIOCYANATE
• 4-TERT-BUTYLPHENYL ISOTHIOCYANATE
• 3,4-DIMETHYLPHENYL ISOTHIOCYANATE
• 4-ACETYLPHENYL ISOTHIOCYANATE
• 4-CYANOPHENYL ISOTHIOCYANATE
• 4-ETHYLPHENYL ISOTHIOCYANATE
• 3-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE
• 4-ETHOXYCARBONYLPHENYL ISOTHIOCYANATE
• Allyl isothiocyanate
• 4-N-BUTYLPHENYL ISOTHIOCYANATE
• 4-ISOPROPYLPHENYL ISOTHIOCYANATE
• 4-METHOXYCARBONYLPHENYL ISOTHIOCYANATE
• TOLUALDEHYDES