4,6-Diiodopyrimidine

HCID 15760295

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Grundinformationen

CAS: 19646-06-1
Standard-SMILES: Ic1cc(I)ncn1
InChIKey: LBVUFZJYMWUZIW-UHFFFAOYSA-N
Summenformel: C4H2I2N2
Durchschnittliche Molmasse: 331,88 g/mol
Monoisotopische Masse: 331,83074

Namen und Bezeichner

Bevorzugter Name: 4,6-Diiodopyrimidine
IUPAC: 4,6-diiodopyrimidine
Englischer Name: 4,6-Diiodopyrimidine
Summenformel: C4H2I2N2
Molmasse: 331.88

Namen und Synonyme

4,6-Diiodopyrimidine19646-06-1DTXSID30578060RefChem:285866DTXCID60528831694-917-9MFCD002339514,6-diiodo-pyrimidineSCHEMBL2556484,6-Diiodopyrimidine, AldrichCPRSB58003AC-27298

Weitere Namen anzeigen

4,6-Diiodo-1,3-diazine4,6-DIIODOPYRIMIDINE ISO 9001：2015 REACH

CS-16494Pyrimidine, 4,6-diiodo-SY035396N10410EN300-7368339AC-907/25004270Pyrimidine, 4,6-AM100462

Datenbank-Bezeichner

CAS: 19646-06-1
PubChem CID: 15760295
DTXSID: DTXSID30578060
EC Number: 694-917-9
Nikkaji: J1.227.383E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 70

Physikochemische Eigenschaften

Siedepunkt: 333.9 · 333.9±22.0 °C(Predicted)
Dichte: 2.765 · 2.765±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: -3.02 · -3.02±0.17(Predicted)
Aggregatzustand: solid
Farbe: Brown to reddish brown

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, 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.