o-Tolunitrile Property

Melting point:

-13 °C

Boiling point:

205 °C(lit.)

Density 

0.989 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.5279(lit.)

Flash point:

184 °F

storage temp. 

Store below +30°C.

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Liquid

color 

Clear colorless to slightly yellow

PH

7 (H2O, 20℃)

explosive limit

1.1-6.7%(V)

Water Solubility 

<0.1 g/100 mL at 17 ºC

Merck 

14,9537

BRN 

1857417

Exposure limits

NIOSH: IDLH 25 mg/m3

Dielectric constant

18.5

InChIKey

NWPNXBQSRGKSJB-UHFFFAOYSA-N

CAS DataBase Reference

529-19-1(CAS DataBase Reference)

NIST Chemistry Reference

Benzonitrile, 2-methyl-(529-19-1)

EPA Substance Registry System

o-Tolunitrile (529-19-1)

Safety

Hazard Codes 

Xi

Risk Statements 

38-52/53-36/37/38

Safety Statements 

61-37-36-26-24/25

RIDADR 

3276

WGK Germany 

2

RTECS 

XV0600000

TSCA 

Yes

HS Code 

29269095

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

o-Tolunitrile Chemical Properties,Usage,Production

Chemical Properties

clear colorless to slightly yellow liquid

Uses

o-Tolyl Cyanide, is a versatile intermediate, used in the synthesis of various pharmaceutical and biologically active compounds. It can be used in the preparation of highly efficient triarylene conjugated dyes for sensitized solar cells

Synthesis Reference(s)

The Journal of Organic Chemistry, 60, p. 2948, 1995 DOI: 10.1021/jo00114a060

General Description

Light blue clear liquid.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Nitriles, such as o-Tolunitrile, may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.

Fire Hazard

o-Tolunitrile is combustible.

Purification Methods

Fractionally distil the nitrile, wash it with conc HCl or 50% H2SO4 at 60o until the smell of isonitrile has gone (this also removes any amines), then wash it with saturated NaHCO3 and dilute NaCl solutions, then dry it with K2CO3 and redistil it. [Beilstein 9 IV 1703.]