1-(4-Isothiocyanatophenyl)-4-methylpiperazine

Modify Date: 2024-01-13 18:06:30

1-(4-Isothiocyanatophenyl)-4-methylpiperazine Structure
1-(4-Isothiocyanatophenyl)-4-methylpiperazine structure
Common Name 1-(4-Isothiocyanatophenyl)-4-methylpiperazine
CAS Number 23861-85-0 Molecular Weight 233.33300
Density 1.15g/cm3 Boiling Point 381.016ºC at 760 mmHg
Molecular Formula C12H15N3S Melting Point N/A
MSDS N/A Flash Point 184.232ºC

 Names

Name 1-(4-Isothiocyanatophenyl)-4-methylpiperazine

 Chemical & Physical Properties

Density 1.15g/cm3
Boiling Point 381.016ºC at 760 mmHg
Molecular Formula C12H15N3S
Molecular Weight 233.33300
Flash Point 184.232ºC
Exact Mass 233.09900
PSA 50.93000
LogP 2.17560
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.616

 Synthetic Route

~80%

1-(4-Isothiocyanatophenyl)-4-methylpiperazine Structure

1-(4-Isothiocya...

CAS#:23861-85-0

Literature: Chen, Li; Ding, Qingjie; Gillespie, Paul; Kim, Kyungjin; Lovey, Allen John; McComas, Warren William; Mullin JR., John Guilfoye; Perrotta, Agostino Patent: US2002/151554 A1, 2002 ;

~80%

1-(4-Isothiocyanatophenyl)-4-methylpiperazine Structure

1-(4-Isothiocya...

CAS#:23861-85-0

Literature: Agouron Pharmaceuticals, Inc. Patent: EP1215208 A2, 2002 ; Location in patent: Example C(70) ; EP 1215208 A2