4-(Boc-aminomethyl)phenyl isothiocyanate

Chemical Properties

Melting point	111-113 °C
Boiling point	416.0±38.0 °C(Predicted)
Density	1.11±0.1 g/cm3(Predicted)
storage temp.	2-8°C
pka	11.93±0.46(Predicted)
InChI	1S/C13H16N2O2S/c1-13(2,3)17-12(16)14-8-10-4-6-11(7-5-10)15-9-18/h4-7H,8H2,1-3H3,(H,14,16)
InChIKey	FZQIQTXXAATZOS-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)NCc1ccc(cc1)N=C=S

Hazard Codes	Xn
Risk Statements	20/21/22-36/37/38-42
Safety Statements	22-26-36
WGK Germany	3
F	10-21
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 STOT SE 3