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HCID 84565Erstellt: 23. Oktober 2026

2-Chlorpyrimidin-4,5-diamin

2-CHLOROPYRIMIDINE-4,5-DIAMINE · IFLAB-BB F1371-0155 · 6-Chloro-2,3-PyriMidinediaMine · 2-CHLORO-4,5-DIAMONOPYRIMIDINE · 4,5-DIAMINO-2-CHLOROPYRIMIDINE · 2-CHLORO-4,5-DIAMINOPYRIMIDINE · 4,5-Pyrimidinediamine, 2-chloro- · (4-amino-2-chloro-pyrimidin-5-yl)amin

https://huagongshe.com/de/chemical/84565

Molekülstruktur von 2-Chlorpyrimidin-4,5-diamin

Identifikatoren & physikalische Daten

CAS No.14631-08-4
SummenformelC4H5ClN4
Durchschnittliche Molmasse144,56 g/mol
Monoisotopische Masse144,0202739 g/mol
SMILESNc1cnc(Cl)nc1N
InChIKeyQDUJVEOOSNUDDW-UHFFFAOYSA-N
PubChem CID84565
EC No.238-672-4
DTXSIDDTXSID70163353
Lokaler Name2-Chlorpyrimidin-4,5-diamin

Chemische & physikalische Eigenschaften

XLogP0,1
Polarare Oberfläche (TPSA)77,8
H-Brücken-Donoren2
H-Brücken-Akzeptoren4
Frei drehbare Bindungen0
Schwere Atome9
Formalladung0
Komplexität98
Schmelzpunkt220 °C (decomp)
Siedepunkt417.9±25.0 °C(Predicted)
Dichte1.564±0.06 g/cm3(Predicted)
Lagerbedingungenunder inert gas (nitrogen or Argon) at 2–8 °C
pKa (Säurekonstante)3.61±0.10(Predicted)
InChIInChI=1S/C4H5ClN4/c5-4-8-1-2(6)3(7)9-4/h1H,6H2,(H2,7,8,9)
InChIKeyQDUJVEOOSNUDDW-UHFFFAOYSA-N
SMILESC1(Cl)=NC=C(N)C(N)=N1
CAS Datenbank14631-08-4(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302+H312+H332 (90.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): 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]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 31 reports by companies from 3 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 CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Zollcode2933599590
R-Sätze (R)22-36-43
GefahrensymboleXn
Sicherheitshinweise (S)26-36/37