(R)-(+)-1-PHENYLETHYL ISOCYANATE
R-(+)-α-methylbenzyl isocyanate
CAS: 33375-06-3
Molecular Formula: C9H9NO
(R)-(+)-1-PHENYLETHYL ISOCYANATE - Names and Identifiers
| Name | R-(+)-α-methylbenzyl isocyanate |
| Synonyms | (R) METHYL BENZYLISOCYANATE (R)-1-PHENYLETHYLISOCYANATE R-(+)-α-methylbenzyl isocyanate [(1R)-1-Isocyanatoethyl]benzene (R)-(+)-1-PHENYLETHYL ISOCYANATE (R)-(+)-1-Phenylethyl Isocyanate (R)(+)-ALPHA-PHENETHYL ISOCYANATE (R)-(+)-A-METHYLBENZYL ISOCYANATE Benzene, [(1R)-1-isocyanatoethyl]- (R)-(+)-ALPHA-METHYLBENZYL ISOCYANATE ISOCYANIC ACID (R)-(+)-1-PHENYLETHYL ESTER ISOCYANIC ACID (R)-(+)-ALPHA-METHYLBENZYL ESTER |
| CAS | 33375-06-3 |
| EINECS | 251-485-2 |
| InChI | InChI=1/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m1/s1 |
| InChIKey | JJSCUXAFAJEQGB-UHFFFAOYSA-N |
(R)-(+)-1-PHENYLETHYL ISOCYANATE - Physico-chemical Properties
| Molecular Formula | C9H9NO |
| Molar Mass | 147.17 |
| Density | 1.045g/mLat 20°C(lit.) |
| Boling Point | 55-56°C2.5mm Hg(lit.) |
| Specific Rotation(α) | 10 º (NEAT) |
| Flash Point | 150°F |
| Water Solubility | Decomposition |
| Vapor Presure | 0.268mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless to pale yellow |
| BRN | 3196930 |
| Storage Condition | 2-8°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.513(lit.) |
| MDL | MFCD00063015 |
(R)-(+)-1-PHENYLETHYL ISOCYANATE - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R42 - May cause sensitization by inhalation R26 - Very Toxic by inhalation R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R23 - Toxic by inhalation |
| Safety Description | S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S24/25 - Avoid contact with skin and eyes. S38 - In case of insufficient ventilation, wear suitable respiratory equipment. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S7/9 - |
| UN IDs | UN 2206 6.1/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 3-10-21 |
| HS Code | 29291090 |
| Hazard Class | 6.1 |
| Packing Group | III |
(R)-(+)-1-PHENYLETHYL ISOCYANATE - Introduction
R-(+)-α-methylbenzyl isocyyanate is a chiral compound with the chemical formula C9H9NO and molecular weight of 147.17. It is liquid, colorless to light yellow at room temperature, with a pungent odor.
R-( )-α-methylbenzyl isocyyanate is often used as a reagent in organic synthesis. It can be used to synthesize organic compounds such as pharmaceuticals or pesticides, especially for the synthesis of derivatives of various aromatic amines or acid anhydrides.
The method of preparing R-( )-α-methylbenzyl isocyanate usually includes a multi-step synthesis, first by reacting phenylethanol with 3,4-dimethoxyphenylacetaldehyde to form (R)-Α-hydroxy ketone, then dehydroxylated by the reaction of thionyl chloride and free isocyanate to produce (R)-α-methoxyphenethyl isocyanate, and finally the target product is obtained by hydrolysis reaction.
Regarding safety information, R-( )-α-methylbenzyl isocyanate is a toxic substance, and appropriate safety precautions should be taken for operation, including wearing chemical protective gloves, goggles and protective clothing. In addition, avoid direct contact with the skin and inhalation of its vapors. During storage, it should be kept in a cool, dry place, away from fire and oxidizing agents. During disposal, waste should be disposed of in accordance with local regulations.
R-( )-α-methylbenzyl isocyyanate is often used as a reagent in organic synthesis. It can be used to synthesize organic compounds such as pharmaceuticals or pesticides, especially for the synthesis of derivatives of various aromatic amines or acid anhydrides.
The method of preparing R-( )-α-methylbenzyl isocyanate usually includes a multi-step synthesis, first by reacting phenylethanol with 3,4-dimethoxyphenylacetaldehyde to form (R)-Α-hydroxy ketone, then dehydroxylated by the reaction of thionyl chloride and free isocyanate to produce (R)-α-methoxyphenethyl isocyanate, and finally the target product is obtained by hydrolysis reaction.
Regarding safety information, R-( )-α-methylbenzyl isocyanate is a toxic substance, and appropriate safety precautions should be taken for operation, including wearing chemical protective gloves, goggles and protective clothing. In addition, avoid direct contact with the skin and inhalation of its vapors. During storage, it should be kept in a cool, dry place, away from fire and oxidizing agents. During disposal, waste should be disposed of in accordance with local regulations.
Last Update：2024-04-09 20:52:54
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