Grundinformationen
- Standard-SMILES
N#Cc1cnc(N)nc1N- InChIKey
OYUQCQCQLDTRHQ-UHFFFAOYSA-N- Summenformel
- C5H5N5
- Durchschnittliche Molmasse
- 135,13 g/mol
- Monoisotopische Masse
- 135,05449518
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Diaminopyrimidine-5-carbonitrile
- IUPAC
- 2,4-diaminopyrimidine-5-carbonitrile
- Englischer Name
- 2,4-Diaminopyrimidine-5-carbonitrile
- Summenformel
- C5H5N5
- Molmasse
- 135.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
16462-27-4- PubChem CID
- 282115
- DTXSID
DTXSID60300179- EC Number
- 813-877-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,2
- Polarare Oberfläche (TPSA)
- 102 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 159
Physikochemische Eigenschaften
- Schmelzpunkt
- 318 °C · 318 °C (decomp)
- Siedepunkt
- 498.2 · 498.2±55.0 °C(Predicted)
- Dichte
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- Löslichkeit
- DMF (Slightly, Heated), DMSO (Slightly)
- Aggregatzustand
- Solid
- pka
- 3.93 · 3.93±0.10(Predicted)
- Farbe
- Light Yellow
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (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 exposure; Respiratory 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.
Gefahrenhinweise
Sicherheitsdaten
- hs_code
- 29335990
Chemie und Industrie
Anwendungen
Verwenden2,4-Diaminopyrimidine-5-carbonitrile is used as an intermediate for the preparation of medicines and agrochemicals (1).
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