Grundinformationen
- CAS
23978-55-4- Standard-SMILES
C1COCCOCCNCCOCCOCCN1- InChIKey
NLMDJJTUQPXZFG-UHFFFAOYSA-N- Summenformel
- C12H26N2O4
- Durchschnittliche Molmasse
- 262,35 g/mol
- Monoisotopische Masse
- 262,18925731
Namen und Bezeichner
- Bevorzugter Name
- Diaza-18-crown-6
- IUPAC
- 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
- Lokaler Name
- 1,4,10,13-Tetraoxa-7,16-diazacyclooctadecan
- Englischer Name
- 4,13-Diaza-18-crown 6-ether
- Summenformel
- C12H26N2O4
- Molmasse
- 262.35
Namen und Synonyme
1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane23978-55-4Cryptand 2.2Diaza-18-crown-6Cryptand 221,7,10,16-Tetraoxa-4,13-diazacyclooctadecane7,16-Diaza-18-crown-61,10-Diaza-4,7,13,16-tetraoxacyclooctadecaneXLY51T1RSZNSC-339325DTXSID20178699K22 diaza-crown ether
Weitere Namen anzeigen
cryptand22cryptand2.2CAS_23978-55-4KRYPTOFIX(R) 22KRYPTOFIX 22 99+%Diaza-18-crown-6,98%KRYPTOFIX 22 POLYMER
RefChem:1285801,4,10,13-tetraoxa-7,16-diaza-cyclooctadecaneDTXCID30101190245-965-0Kryptofix 224,13-Diaza-18-crown 6-Ether4,13-diaza-18-crown-6MFCD00005112
Datenbank-Bezeichner
- CAS
23978-55-4- PubChem CID
- 72805
- DTXSID
DTXSID20178699
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,4
- Polarare Oberfläche (TPSA)
- 61 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 138
Physikochemische Eigenschaften
- Schmelzpunkt
- 111 · 111-114 °C(lit.)
- Siedepunkt
- 405.6 °C · 405.6°C (rough estimate)
- Dichte
- 1.0807 · 1.0807 (rough estimate)
- Brechungsindex
- 1.456 · 1.4560 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- Shiny Crystalline Powder
- pka
- 9 · 9.00±0.20(Predicted)
- Farbe
- Off-white
- Wasserlöslichkeit
- Soluble in water.
- BRN
- 609764 · 609764
- InChI
- InChI=1S/C12H26N2O4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h13-14H,1-12H2
- InChIKey
- NLMDJJTUQPXZFG-UHFFFAOYSA-N
- SMILES
- O1CCNCCOCCOCCNCCOCC1
- CAS Datenbank
- 23978 · 23978-55-4(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 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): 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 47 reports by companies from 7 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
Regulatory Information1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)；Eye Irrit. 2A (97.9%)；STOT SE 3 (95.7%)
Regulatorische Informationen
Regulatory Information1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
Chemie und Industrie
Anwendungen
Verwenden1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane is a crown ether, which can be used:In the spectroscopic studies of its complex-forming reaction with iodine.To prepare the ligand 7,16-bis(5-t-butyl-2-hydroxybenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.As a ligand in the study of zirconium facilitated hydrolysis of a dipeptide at neutral pH.
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