4-hydroxy-3,5-dimethyl-benzenecarbonitrile Chemical Properties

Melting point:

123-127 °C

Boiling point:

267.28°C (rough estimate)

Density 

1.1135 (rough estimate)

vapor pressure 

0.005Pa at 25℃

refractive index 

1.5290 (estimate)

storage temp. 

Inert atmosphere,Room Temperature

solubility 

soluble in Methanol

form 

Crystalline Powder

pka

pK1:8.27 (25°C)

color 

White to beige

Water Solubility 

320mg/L at 20℃

InChIKey

WFYGXOWFEIOHCZ-UHFFFAOYSA-N

LogP

1.6 at 20℃

CAS DataBase Reference

4198-90-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

T,Xn,Xi

Risk Statements 

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

Safety Statements 

26-45-36/37

RIDADR 

UN 2811 6.1/PG 3

WGK Germany 

3

RTECS 

DI4359000

Hazard Note 

Toxic

HazardClass 

IRRITANT

HS Code 

29269095

Toxicity

mouse,LD50,intraperitoneal,650mg/kg (650mg/kg),Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960.

MSDS

• Language:English Provider:ACROS

4-hydroxy-3,5-dimethyl-benzenecarbonitrile Usage And Synthesis

Chemical Properties

White to beige crystalline powder

Uses

Intermediate in the preparation of HIV replication inhibitors.

Definition

ChEBI: 4-Hydroxy-3,5-dimethylbenzonitrile is a hydroxytoluene.

Flammability and Explosibility

Not classified

4-hydroxy-3,5-dimethyl-benzenecarbonitrile(4198-90-7)Related Product Information

• Dimethyl sulfate
• ETHANE
• 2-Cyanophenol
• CHLOROPHOSPHONAZO III
• Dimethyl ether
• Dimethyl carbonate
• Dacthal
• N,N-Dimethylformamide
• Poly(dimethylsiloxane)
• Dimethyl fumarate
• Dimethyl sulfoxide
• 4-Nitrobenzonitrile
• Benzonitrile
• p-Tolunitrile
• Xylene
• Chrysin
• Dimethyl phthalate
• 3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE