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2-Chlorpyrimidin
2-Chloro · chloropyrimidine · 2-chloro-pyrimidin · 2CPY X HCL · 2-chloropyrimide · 2-Chlorpyrimidin · 2-choropyrimidine · 2-CHLOROPYRIMIDINE
Identifikatoren & physikalische Daten
| CAS No. | 1722-12-9 |
|---|---|
| Summenformel | C4H3ClN2 |
| Durchschnittliche Molmasse | 114,53 g/mol |
| Monoisotopische Masse | 113,9984758 g/mol |
| SMILES | Clc1ncccn1 |
| InChIKey | UNCQVRBWJWWJBF-UHFFFAOYSA-N |
| PubChem CID | 74404 |
| ChEMBL | CHEMBL5433017 |
| EC No. | 217-020-2 |
| DTXSID | DTXSID70169214 |
| Lokaler Name | 2-Chlorpyrimidin |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 51 |
| Dampfdruck | 2.48 [mmHg] |
| Physical Description | Light yellow hygroscopic solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 63-66 °C (lit.) |
| Siedepunkt | 75-76 °C/10 mmHg (lit.) |
| Dichte | 1.2710 (rough estimate) |
| Brechungsindex | 1.5320 (estimate) |
| Flammpunkt | 98 °C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Methanol, WaterSlightly soluble in water. 33.3 mg soluble in 1 mL of alcohol. |
| pKa (Säurekonstante) | -1.46±0.13(Predicted) |
| Aggregatzustand | Crystals or Crystalline Powder |
| Farbe | Yellow to pale orange |
| BRN | 107171 |
| InChI | 1S/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3H |
| InChIKey | UNCQVRBWJWWJBF-UHFFFAOYSA-N |
| SMILES | Clc1ncccn1 |
| CAS Datenbank | 1722-12-9(CAS DataBase Reference) |
| NIST chemische Informationen | Pyrimidine, 2-chloro-(1722-12-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (16.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (12.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22128 |
| Gefahrenübersicht | A skin, respiratory tract, and severe eye irritantToxic by ingestionOral LD50 (rat) = 200-2,000 mg/kg[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 3 (85.7%)Skin Irrit. 2 (12.5%)Skin Sens. 1 (16.1%)Eye Irrit. 2 (91.1%)STOT SE 3 (12.5%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29339900 |
| R-Sätze (R) | 22-36-36/38-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Gefahrenklasse | 6.1(b)Acute Tox. 4 OralEye Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Chloropyrimidine is a monochlorinated pyrimidine with plant growth regulating activity. Chloropyrimidine is a useful reagent in the preparation of antivirals and other biologically active compounds.