Grundinformationen
- CAS
7189-69-7- Standard-SMILES
O=S(=O)(n1ccnc1)n1ccnc1- InChIKey
ZLKNPIVTWNMMMH-UHFFFAOYSA-N- Summenformel
- C6H6N4O2S
- Durchschnittliche Molmasse
- 198,21 g/mol
- Monoisotopische Masse
- 198,02114662
Namen und Bezeichner
- Bevorzugter Name
- 1,1'-sulphonylbis-1H-imidazole
- IUPAC
- 1-imidazol-1-ylsulfonylimidazole
- Lokaler Name
- 1,1'-Sulfonylbis-1H-imidazol
- Englischer Name
- 1,1'-Sulfonyldiimidazole
- Summenformel
- C6H6N4O2S
- Molmasse
- 198.2
Namen und Synonyme
1,1'-Sulfonyldiimidazole7189-69-71,1'-Sulphonylbis-1H-imidazoleEINECS 230-554-0DTXSID30222152RefChem:409322DTXCID30144643230-554-01-imidazol-1-ylsulfonylimidazoleN,N'-Sulfonyldiimidazole(SDI)1H-Imidazole, 1,1'-sulfonylbis-MFCD00015893
Weitere Namen anzeigen
SDISULFONYLDIIMIDAZOLE1,1'-Sulfonylbis(1H-imidazole)N,N'- thiimide1,1'-Sulfonyldiimida1,1'-SufonyldiimidazoleN,N'-SULFONYLDIIMIDAZOLE-Sulfonylbis(1H-imidazole)
1-(1H-imidazole-1-sulfonyl)-1H-imidazoleN,N'-Sulfuryldiimidazole1,1 inverted exclamation marka-SulfonyldiimidazoleAKOS009157421CS-W010544SY0172991-(1H-Imidazol-1-ylsulfonyl)-1H-imidazole #N,N'-Sulfonyldiimidazole (SDI)
Datenbank-Bezeichner
- CAS
7189-69-7- PubChem CID
- 81609
- DTXSID
DTXSID30222152- EC Number
- 230-554-0
- Nikkaji
- J227.431K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,2
- Polarare Oberfläche (TPSA)
- 78,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 251
Physikochemische Eigenschaften
- Schmelzpunkt
- 135 · 135-137 °C(lit.)
- Siedepunkt
- 471 · 471.0±28.0 °C(Predicted)
- Dichte
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- soluble in Methanol
- pka
- 0.11 · 0.11±0.10(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- Light cream
- InChI
- InChI=1S/C6H6N4O2S/c11-13(12,9-3-1-7-5-9)10-4-2-8-6-10/h1-6H
- InChIKey
- ZLKNPIVTWNMMMH-UHFFFAOYSA-N
- SMILES
- S(N1C=NC=C1)(N1C=NC=C1)(=O)=O
- CAS Datenbank
- 7189 · 7189-69-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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 42 reports by companies from 5 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29350090
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden1,1′-Sulfonyldiimidazole may be used in the preparation of stable 1:1 complexes of benziodoxole. It may be used in the synthesis of 2,3′-anhydro-2′-deoxyribonucleosides.
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