4,6-DICHLOROPYRIMIDINE
4,6-Dichloropyrimidine
CAS: 1193-21-1
Molecular Formula: C4H2Cl2N2
4,6-DICHLOROPYRIMIDINE - Names and Identifiers
| Name | 4,6-Dichloropyrimidine |
| Synonyms | IFLAB-BB F2124-0077 4,6-Dichoropyrimidine 4,6-DICHLOROPYRIMIDINE 4,6-Dichloropyrimidine 4,6-dichloro pyrimidine PYRIMIDINE, 4,6-DICHLORO- Pyrimidine, 4,6-dichloro- Pyrimidine, 4,6-dichloro- (7CI,8CI,9CI) |
| CAS | 1193-21-1 |
| EINECS | 214-770-2 |
| InChI | InChI:1S/C4H2Cl2N2/c5-3-1-4(6)8-2-7-3/h1-2H |
| InChIKey | XJPZKYIHCLDXST-UHFFFAOYSA-N |
4,6-DICHLOROPYRIMIDINE - Physico-chemical Properties
| Molecular Formula | C4H2Cl2N2 |
| Molar Mass | 148.98 |
| Density | 1.6445 (rough estimate) |
| Melting Point | 65-67 °C (lit.) |
| Boling Point | 176 °C (lit.) |
| Flash Point | 176°C |
| Solubility | 95% ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to yellow |
| Vapor Presure | 30-390Pa at 20-50℃ |
| Appearance | White lens |
| Color | Yellow-green |
| BRN | 111195 |
| pKa | -4.20±0.17(Predicted) |
| Storage Condition | Inert atmosphere,2-8°C |
| Refractive Index | 1.6300 (estimate) |
| MDL | MFCD00006109 |
| Physical and Chemical Properties | Melting Point 63-68°C boiling point 176°C |
| Use | For the synthesis of pharmaceutical intermediates |
4,6-DICHLOROPYRIMIDINE - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R34 - Causes burns R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37 - Irritating to eyes and respiratory system. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S27 - Take off immediately all contaminated clothing. |
| UN IDs | UN 3263 8/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 19 |
| HS Code | 29335990 |
| Hazard Note | Corrosive |
| Hazard Class | 8 |
| Packing Group | II |
4,6-DICHLOROPYRIMIDINE - Introduction
Soluble in dimethylformamide and dichloroethylene.
Last Update：2022-10-16 17:12:30
4,6-DICHLOROPYRIMIDINE - Reference Information
| LogP | 1.45 at 25℃ and pH7.2 |
| surface tension | 65.72mN/m at 1g/L and 20 ℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| use | 4, 6-dichloropyrimidine is an intermediate of the fungicide azoxystrobin. Used as a pharmaceutical intermediate to produce sulfa-6-methoxine. Used as the synthesis of pharmaceutical intermediates The starting material for the synthesis of disubstituted pyrimidine through tandem amination and Suzuki-Miyaura cross-coupling reactions; also used in the synthesis of diaryl pyrimidine involving diaryl cross-coupling reactions |
| Production method | It is obtained by cyclization and chlorination of dibutyl malonate. the preparation method is to refluxing with propanediamide and formamide in the presence of sodium ethoxide for 2h, cooling to obtain precipitation, filtering to obtain 4, 6-dihydroxypyrimidine, and then chlorination of dried 4, 6-dihydroxypyrimidine in the presence of phosphorus oxytrichloride to obtain a product. |
Last Update：2024-04-09 20:52:54
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View History
4,6-DICHLOROPYRIMIDINE
2-Methyl-2-propenyltrimethylsilane
奥美沙坦
4-N-CBZ-AMINO-BUTAN-1-OL
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
3,4-ethanediyldioxy-β-nitro-styrene
Cesium tungsten oxide
NSC 110335
Ascorbyl GaMolenate
5-Aminolevulinic acid hydrochloride
2-Methyl-2-propenyltrimethylsilane
奥美沙坦
4-N-CBZ-AMINO-BUTAN-1-OL
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
3,4-ethanediyldioxy-β-nitro-styrene
Cesium tungsten oxide
NSC 110335
Ascorbyl GaMolenate
5-Aminolevulinic acid hydrochloride