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2,4-Dichloro-1,3,5-triazine
oro-1,3,5-triazine · Dichloro-s-triazine · 2,4-dichlorotriazine · 2,4-Dichloro-s-triazine · 2,4-DICHLORO-1,3,5-TRIAZINE · 1,3,5-Triazine,2,4-dichloro- · 2,4-Dichloro-1,3,5-triazine>2,4-Dichloro-1,3,5-Triazine pure, 98%
Identifikatoren & physikalische Daten
| CAS No. | 2831-66-5 |
|---|---|
| Summenformel | C3HCl2N3 |
| Durchschnittliche Molmasse | 149,96 g/mol |
| Monoisotopische Masse | 148,95475239 g/mol |
| SMILES | Clc1ncnc(Cl)n1 |
| InChIKey | OMRXVBREYFZQHU-UHFFFAOYSA-N |
| PubChem CID | 17810 |
| EC No. | 676-236-9 |
| DTXSID | DTXSID10274598 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 70,9 |
| Schmelzpunkt | 54.0 to 58.0 °C |
| Siedepunkt | 102°C/75mmHg(lit.) |
| Dichte | 1.612±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -1.24±0.10(Predicted) |
| Farbe | White to Off-White |
| InChI | InChI=1S/C3HCl2N3/c4-2-6-1-7-3(5)8-2/h1H |
| InChIKey | OMRXVBREYFZQHU-UHFFFAOYSA-N |
| SMILES | N1=CN=C(Cl)N=C1Cl |
| CAS Datenbank | 2831-66-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (25%) |
| Zollcode | 2933698090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
2,4-Dichloro-1,3,5-triazine is used as an intermediate in organic synthesis and pharmaceutical intermediates, and it is an intermediate in the preparation of bromhexine impurities.
Herstellung & Synthese
synthetische
2,4-Dichloro-1,3,5-triazine can be synthesized by halogenation of 1,3,5-Triazine with chlorine.