HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chloropyrimidine
6-Chloropyrimidine · 4-Chlor-pyrimidin · 4-CHLOROPYRIMIDINE · PyriMidine, 4-chloro- · 4-Chloropyrimidine hydroc... · 4-ChloropyriMidine(HCL forM) · 4-Chloropyrimidine (as HCl salt) · Pyrimidine, 4-chloro- (6CI,8CI,9CI)
Identifikatoren & physikalische Daten
| CAS No. | 17180-93-7 |
|---|---|
| Summenformel | C4H3ClN2 |
| Durchschnittliche Molmasse | 114,53 g/mol |
| Monoisotopische Masse | 113,99847578 g/mol |
| SMILES | Clc1ccncn1 |
| InChIKey | DBPKMSBWOKAKLA-UHFFFAOYSA-N |
| PubChem CID | 642834 |
| ChEMBL | CHEMBL5440641 |
| EC No. | 845-733-4 |
| DTXSID | DTXSID70349079 |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 57,7 |
| Schmelzpunkt | 160-170 °C (decomp) |
| Siedepunkt | 173.0±13.0 °C(Predicted) |
| Dichte | 1.303±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | Dichloromethane (Slightly), Chloroform (Slightly) |
| pKa (Säurekonstante) | 0.11±0.10(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Brown to Dark Brown |
| Stabilität | Moisture Sensitive, Unstable in Aqueous Solution, Unstable in DMSO |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 29335990 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
Anwendungen & Verwendung
Verwenden
4-Chloropyrimidine is used in the preparation of 1'',4''-imino tautomer.