(S)-2-Isocyanato-3-phenylpropionic acid methyl ester
- Product Name(S)-2-Isocyanato-3-phenylpropionic acid methyl ester
- CAS40203-94-9
- MFC11H11NO3
- MW205.21
- EINECS
- MOL File40203-94-9.mol
Chemical Properties
| Melting point | 23°C |
| Boiling point | 244 °C(lit.) |
| Density | 1.13 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point | >230 °F |
| form | powder to lump |
| color | White to Light yellow |
| optical activity | [α]20/D 80.0°, neat |
| FreezingPoint | 22.0 to 25.0 ℃ |
| InChI | 1S/C11H11NO3/c1-15-11(14)10(12-8-13)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m0/s1 |
| InChIKey | JOTMMIYKEOOTNZ-JTQLQIEISA-N |
| SMILES | COC(=O)[C@H](Cc1ccccc1)N=C=O |
| CAS DataBase Reference | 40203-94-9(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | UN 2206 6.1/PG 3 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29291090 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 3 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |