-甲基-2-氯嘧啶
2-chloro-4-methylpyrimidine
CAS: 13036-57-2
Molecular Formula: C5H5ClN2
-甲基-2-氯嘧啶 - Names and Identifiers
| Name | 2-chloro-4-methylpyrimidine |
| Synonyms | chloro-4-MethylpyriMidine 2-chloro-4-methylpyrimidine 2-Chloro-6-methylpyrimidine 2-CHLORO-4-METHYLPYRIMIDINE 2-Chloro-4-methyl-1,3-diazine Pyrimidine, 2-chloro-4-methyl- Pyrimidine, 2-chloro-4-methyl- (6CI,7CI,8CI,9CI) |
| CAS | 13036-57-2 |
| InChI | InChI=1/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3 |
| InChIKey | BHAKRVSCGILCEW-UHFFFAOYSA-N |
-甲基-2-氯嘧啶 - Physico-chemical Properties
| Molecular Formula | C5H5ClN2 |
| Molar Mass | 128.56 |
| Density | 1.234±0.06 g/cm3(Predicted) |
| Melting Point | 35-36°C |
| Boling Point | 94°C/17mmHg(lit.) |
| Flash Point | 98℃ |
| Solubility | Chloroform |
| Vapor Presure | 0.209mmHg at 25°C |
| Appearance | Pale yellow solid |
| Color | Pale Yellow to Beige |
| pKa | -0.93±0.20(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Stability | Toxic |
| Sensitive | Moisture Sensitive |
| Refractive Index | 1.53 |
| MDL | MFCD00054434 |
-甲基-2-氯嘧啶 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R41 - Risk of serious damage to eyes R37/38 - Irritating to respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. |
| WGK Germany | 3 |
| TSCA | N |
| HS Code | 29335990 |
| Hazard Class | IRRITANT |
-甲基-2-氯嘧啶 - Reference Information
| Properties | 2-chloro-4-methylpyrimidine, also known as 4-methyl-2-chloropyrimidine, its molecular formula is C5H5ClN2, molecular weight is 128.56,CAS number is 13036-57-2, boiling point 94 oC(12mmHg), melting point 35-36 oC, light yellow solid at room temperature, can be used as an intermediate in various chemical synthesis reactions. |
| synthesis method | a scheme for preparing 2-chloro -4-methylpyrimidine from 2,4-dichloropyrimidine is proposed by Comentitis Company in the United States: MeMgCl(3M THF solution, 4.47mL,13.42mmol) is added dropwise to stirred 2 in argon at 0 ℃, 4-dichloropyrimidine (2g,13.42mmol) and Fe(acac)3(1.37g,3.9mmol) were in a solution of THF(40mL), and the resulting reaction mixture was stirred at 0°C for 8 hours. The reaction mixture was diluted with water and extracted with EtOAc. The organic phase was evaporated and then purified by silica gel column chromatography (eluted with 25% EtOAc/hexane) to give 2-chloro-4-methylpyrimidine with 50% yields. |
Last Update：2024-04-10 22:29:15
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