3-(4-Methylphenyl)-3-oxopropanenitrile

Names

[ CAS No. ]:
7391-28-8

[ Name ]:
3-(4-Methylphenyl)-3-oxopropanenitrile

[Synonym ]:
MFCD00067895
3-(4-Methylphenyl)-3-oxopropanenitrile
Benzenepropanenitrile, 4-methyl-β-oxo-

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
318.2±25.0 °C at 760 mmHg

[ Melting Point ]:
105-108 °C(lit.)

[ Molecular Formula ]:
C₁₀H₉NO

[ Molecular Weight ]:
159.185

[ Flash Point ]:
146.2±23.2 °C

[ Exact Mass ]:
159.068420

[ PSA ]:
40.86000

[ LogP ]:
1.43

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.533

MSDS

Click to get detail MSDS

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Reaction Mechanism of the C:N Triple Bond Cleavage of β-Ketonitriles on a Molybdenum (0) Center1 Tanabe Y, et al.

J. Am. Chem. Soc. 122(8) , 1690-1699, (2000)