3-cyanophenyl isothiocyanate

Names

[ CAS No. ]:
3125-78-8

[ Name ]:
3-cyanophenyl isothiocyanate

[Synonym ]:
3-Cyanophenyl isothiocyanate
MFCD00041070
m-Cyanophenyl isothiocyanate
Benzonitrile,3-isothiocyanato

Chemical & Physical Properties

[ Density]:
1.12g/cm3

[ Boiling Point ]:
303.1ºC at 760mmHg

[ Melting Point ]:
64-66 °C(lit.)

[ Molecular Formula ]:
C₈H₄N₂S

[ Molecular Weight ]:
160.19600

[ Flash Point ]:
137.1ºC

[ Exact Mass ]:
160.01000

[ PSA ]:
68.24000

[ LogP ]:
2.29258

[ Index of Refraction ]:
1.604

[ Storage condition ]:
Keep Cold

Safety Information

[ Symbol ]:

GHS05, GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H312-H314-H317-H332-H334

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
C: Corrosive;T: Toxic;

[ Risk Phrases ]:
R23/24/25;R36/37/38

[ Safety Phrases ]:
S22-S26-S36/37/39-S45

[ RIDADR ]:
UN 1759 8/PG 3

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2930909090

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Preparation of aryl isothiocyanates via protected phenylthiocarbamates and application to the synthesis of caffeic acid (4-isothiocyanato)phenyl ester.

J. Org. Chem. 65(19) , 6237-40, (2000)

Yaws CL.

The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals 2nd ed.,, (2015), 178

Copper-catalyzed synthesis of 3-substituted-5-amino-1,2,4-thiadiazoles via intramolecular N-S bond formation. Kim HY, et al.

Tetrahedron 70(45) , 8737-8743, (2014)