(S)-(-)-1-Phenylethyl isocyanate CAS 14649-03-7
Introduction：Basic information about (S)-(-)-1-Phenylethyl isocyanate CAS 14649-03-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
(S)-(-)-1-Phenylethyl isocyanate Basic information
| Product Name: | (S)-(-)-1-Phenylethyl isocyanate |
| Synonyms: | Isocyanic Acid (S)-(-)-alpha-Methylbenzyl EsterIsocyanic Acid (S)-(-)-1-Phenylethyl Ester(S)-(-)-1-Phenylethyl Isocyanate;(S)-(-)-α-Methylbenzyl Isocyanate;(S)-(-)-alpha-Methylbenzyl isocyanate 99%;(S)-(-)-α-Methylbenzyl isocyanate, for chiral derivatization;Tris(pentafluorophenyl)borane(S)-(-)-1-Phenylethylisocyanate;(S)-(-)-α[(1S)-1-Isocyanatoethyl]benzene;(S) METHYL BENZYLISOCYANATE |
| CAS: | 14649-03-7 |
| MF: | C9H9NO |
| MW: | 147.17 |
| EINECS: | 238-698-6 |
| Product Categories: | chiral;Analytical Chemistry;Chiral Building Blocks;e.e. / Absolute Configuration Determination (NMR);e.e. Determination (HPLC Labeling Reagents);Enantiomer Excess & Absolute Configuration Determination;for Resolution of Alcohols & Thiols;for Resolution of Bases;Isocyanates (Chiral);Optical Resolution;Synthetic Organic Chemistry |
| Mol File: | 14649-03-7.mol |
(S)-(-)-1-Phenylethyl isocyanate Chemical Properties
| Melting point | 65 °C |
| Boiling point | 55-56 °C2.5 mm Hg(lit.) |
| alpha | -10 º (NEAT) |
| 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 Information
| Hazard Codes | Xn,T+,T |
| Risk Statements | 36/37/38-42-26-23 |
| Safety Statements | 23-26-36-45-24/25 |
| 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 |
| Chemical Properties | Colorless to light yellow liqui |
| Uses | (S)-(-)-1-Phenylethyl isocyanate act by inhibition of cell proliferation and induction of apoptosis. It helps to prevent lung cancer and esophageal cancer. It is a fine chemical intermediate. |
| General Description | (S)-(-)-α-Methylbenzyl isocyanate is a commonly used chiral derivatizing agent for the resolution of enantiomers. |
| Purification Methods | Purify the isocyanates by fractional distillation under a vacuum. With ammonia |
(S)-(-)-1-Phenylethyl isocyanate Preparation Products And Raw materials
| Raw materials | L-1-Phenylethylamine-->Triphosgene-->Diphosgene-->PHOSGENE |
