14649-03-7
| Name | (S)-(-)-1-Phenylethyl isocyanate |
| CAS | 14649-03-7 |
| EINECS(EC#) | 238-698-6 |
| Molecular Formula | C9H9NO |
| MDL Number | MFCD00002036 |
| Molecular Weight | 147.17 |
| MOL File | 14649-03-7.mol |
Chemical Properties
| Appearance | Colorless to light yellow liqui |
| Melting point | 65 °C |
| alpha | -10 º (NEAT) |
| Boiling point | 55-56 °C2.5 mm Hg(lit.) |
| density | 1.045 g/mL at 20 °C(lit.) |
| refractive index | n |
| Fp | 150 °F |
| storage temp. | 2-8°C |
| form | Liquid |
| color | Clear colorless to pale yellow |
| Optical Rotation | [α]20/D 10°, neat |
| Water Solubility | Decomposition |
| Sensitive | Moisture Sensitive |
| BRN | 4230972 |
| InChI | 1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m0/s1 |
| InChIKey | JJSCUXAFAJEQGB-QMMMGPOBSA-N |
| SMILES | C[C@H](N=C=O)c1ccccc1 |
| CAS DataBase Reference | 14649-03-7(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |   GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H315-H317-H319-H330-H334-H335-H412 |
| Precautionary statements | P260-P273-P280-P302+P352-P304+P340+P310-P305+P351+P338 |
| Hazard Codes | Xn,T+ |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2206 6.1/PG 2 |
| WGK Germany | 3 |
| F | 3-10-21 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29291090 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Inhalation Aquatic Chronic 3 Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |