Hexacyclo(25.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~)pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol
Grundinformationen
- CAS
83933-03-3- Standard-SMILES
Oc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2- InChIKey
QEUBHEGFPPTWLY-UHFFFAOYSA-N- Summenformel
- C35H30O5
- Durchschnittliche Molmasse
- 530,6 g/mol
- Monoisotopische Masse
- 530,20932405
Namen und Bezeichner
- Bevorzugter Name
- Hexacyclo(25.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~)pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol
- IUPAC
- hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol
- Englischer Name
- CALIX[5]ARENE
- Summenformel
- C35H30O5
- Molmasse
- 530.61
Namen und Synonyme
83933-03-3DTXSID20369363Hexacyclo(25.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~)pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentolHexacyclo[25.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentolRefChem:1086508DTXCID80320399CALIX[5]ARENECalix(5)areneHexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentolhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol1,3,5,7,9(1,3)-Pentabenzenacyclodecaphane-12,32,52,72,92-pentaolSCHEMBL29469562
Weitere Namen anzeigen
calix[5]arene80%
C35H30O5IDA93303MFCD00278856AKOS0252138101,3,5,7,9(1,3)-Pentabenzenacyclodecaphane-1~2~,3~2~,5~2~,7~2~,9~2~-pentol
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,8
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 40
- Formalladung
- 0
- Komplexität
- 604
Physikochemische Eigenschaften
- Schmelzpunkt
- 292 °C · 292 °C
- Siedepunkt
- 570.01 °C · 570.01°C (rough estimate)
- Dichte
- 1.0846 · 1.0846 (rough estimate)
- Brechungsindex
- 1.54 · 1.5400 (estimate)
- pka
- 9.28 · 9.28±0.20(Predicted)
- InChIKey
- QEUBHEGFPPTWLY-UHFFFAOYSA-N
- SMILES
- C12=C(O)C(=CC=C1)CC1=C(O)C(=CC=C1)CC1=C(O)C(=CC=C1)CC1=C(O)C(=CC=C1)CC1=C(O)C(=CC=C1)C2
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 29071990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
Chemie und Industrie
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