Isoxazole, 4-(chloromethyl)-3,5-dimethyl-
4-(chloromethyl)-3,5-dimethylisoxazole
CAS: 19788-37-5
Molecular Formula: C6H8ClNO
Isoxazole, 4-(chloromethyl)-3,5-dimethyl- - Names and Identifiers
| Name | 4-(chloromethyl)-3,5-dimethylisoxazole |
| Synonyms | AKOS BC-3064 TIMTEC-BB SBB004107 3,5-Dimethyl-4-chloromethyl isoxazole 4-(chloromethyl)-3,5-dimethylisoxazole 4-(chloromethyl)-3,5-dimethyl-isoxazol 4-(Chloromethyl)-3,5-dimethylisoxazole 4-(CHLOROMETHYL)-3,5-DIMETHYLISOXAZOLE 4-(chloromethyl)-3,5-dimethyl-1,2-oxazole Isoxazole, 4-(chloromethyl)-3,5-dimethyl- |
| CAS | 19788-37-5 |
| EINECS | 243-312-4 |
| InChI | InChI=1/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3 |
Isoxazole, 4-(chloromethyl)-3,5-dimethyl- - Physico-chemical Properties
| Molecular Formula | C6H8ClNO |
| Molar Mass | 145.59 |
| Density | 1.173 g/mL at 25 °C (lit.) |
| Melting Point | 88-90°C |
| Boling Point | 87-88 °C/8 mmHg (lit.) |
| Flash Point | 204°F |
| Vapor Presure | 0.167mmHg at 25°C |
| BRN | 110780 |
| pKa | -1.73±0.28(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.486(lit.) |
| Physical and Chemical Properties | Colorless liquid. Boiling Point 87-88 ℃(1.07kPa), relative density 1.173, refractive index 1.4870, flash point 95 ℃. |
Isoxazole, 4-(chloromethyl)-3,5-dimethyl- - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R37/38 - Irritating to respiratory system and skin. R36 - Irritating to the eyes |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN 3334 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29349990 |
| Hazard Class | IRRITANT |
Isoxazole, 4-(chloromethyl)-3,5-dimethyl- - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | organic synthesis intermediate. |
| production method | mix 3, 5-dimethylisoxazole, paraformaldehyde, anhydrous zinc chloride and dichloroethane, pass hydrogen chloride gas, and then heat and reflux for 3 hours. The reactants were poured into water, neutralized with potassium carbonate, and extracted with chloroform. The extract is first distilled to recover 3,5-dimethylisoxazole, then distilled under reduced pressure, and the fraction at 87-88 ℃(1.07kPa) is collected as the finished product, with a yield of 30%. |
Last Update：2024-04-09 20:49:11
