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2,4-Diaminopyrimidine-5-carbonitrile
NSC 135235 · 2,4-DIAMINO-5-CYANO-PYRIMIDINE · 2,4-Diaminopyrimidine-5-carbonitriL · 2,4-DIAMINO-5-PYRIMIDINECARBONITRILE · 2,4-Diaminopyrimidine-5-carbonitrile · 5-Pyrimidinecarbonitrile, 2,4-diamino- · 2,4-Diaminopyrimidine-5-carbonitrile ,97% · 5-Pyrimidinecarbonitrile, 2,4-diamino- (6CI,8CI,9CI)
Identifikatoren & physikalische Daten
| CAS No. | 16462-27-4 |
|---|---|
| Summenformel | C5H5N5 |
| Durchschnittliche Molmasse | 135,13 g/mol |
| Monoisotopische Masse | 135,05449518 g/mol |
| SMILES | N#Cc1cnc(N)nc1N |
| InChIKey | OYUQCQCQLDTRHQ-UHFFFAOYSA-N |
| PubChem CID | 282115 |
| EC No. | 813-877-7 |
| DTXSID | DTXSID60300179 |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 102 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 159 |
| Schmelzpunkt | 318 °C (decomp) |
| Siedepunkt | 498.2±55.0 °C(Predicted) |
| Dichte | 1.45±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| Löslichkeit | DMF (Slightly, Heated), DMSO (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.93±0.10(Predicted) |
| Farbe | Light Yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (50%)Acute Tox. 4 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Zollcode | 29335990 |
Anwendungen & Verwendung
Verwenden
2,4-Diaminopyrimidine-5-carbonitrile is used as an intermediate for the preparation of medicines and agrochemicals (1).