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2,4,6-Trichlorpyrimidin
2,4,6-TRICHLOROPYRIDINE · TCPY · TrichloropyriMidine · 2,4,6-trichloro-pyrimidin · NSC 6494 · AURORA KA-4834 · 2,4,6-TrichloropyriM · Xamoterol Impurity 3
Identifikatoren & physikalische Daten
| CAS No. | 3764-01-0 |
|---|---|
| Summenformel | C4HCl3N2 |
| Durchschnittliche Molmasse | 183,42 g/mol |
| Monoisotopische Masse | 181,92053107 g/mol |
| SMILES | Clc1cc(Cl)nc(Cl)n1 |
| InChIKey | DPVIABCMTHHTGB-UHFFFAOYSA-N |
| PubChem CID | 77378 |
| ChEMBL | CHEMBL3187275 |
| EC No. | 223-183-0 |
| DTXSID | DTXSID5049287 |
| Lokaler Name | 2,4,6-Trichlorpyrimidin |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 89,8 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 23-25 °C (lit.) |
| Siedepunkt | 210-215 °C (lit.) |
| Dichte | 1.595 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.57(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Ethyl AcetateInsoluble in water. |
| Aggregatzustand | Liquid After Melting |
| pKa (Säurekonstante) | -7.14±0.30(Predicted) |
| Farbe | Clear colorless to yellow |
| BRN | 118284 |
| InChI | 1S/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H |
| InChIKey | DPVIABCMTHHTGB-UHFFFAOYSA-N |
| SMILES | Clc1cc(Cl)nc(Cl)n1 |
| CAS Datenbank | 3764-01-0(CAS DataBase Reference) |
| NIST chemische Informationen | Pyrimidine, 2,4,6-trichloro-(3764-01-0) |
| EPA chemische Informationen | Pyrimidine, 2,4,6-trichloro- (3764-01-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (16.4%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 61 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 1 (16.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN1759 |
| Zollcode | 29335990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi,T |
| Sicherheitshinweise (S) | 26-36-24/25-23 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Fungitoxic substance.