4-(Boc-aminomethyl)phenyl isothiocyanate
- Product Name4-(Boc-aminomethyl)phenyl isothiocyanate
- CAS89631-74-3
- CBNumberCB3713376
- MFC13H16N2O2S
- MW264.34
- MDL NumberMFCD00077918
- MOL File89631-74-3.mol
- MSDS FileSDS
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 |
| UNSPSC Code | 12352200 |
Safety
| Symbol(GHS) |
 
|
| Signal word | Danger |
| Hazard statements | H335-H334-H315-H302-H332-H312-H319 |
| Precautionary statements | P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P285-P304+P341-P342+P311-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312 |
| 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 |
