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414824 Sigma-Aldrich

C-Undecylcalix[4]resorcinarene monohydrate

99%

  • CAS Number 112247-07-1

  • Empirical Formula (Hill Notation) C72H112O8 · H2O

  • Molecular Weight 1123.67

  •  Beilstein/REAXYS Number 4290394

  •  MDL number MFCD00192571

  •  PubChem Substance ID 329756112

  •  NACRES NA.22

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Properties

Related Categories Calixarenes, Chelation/Complexation Compounds, Chemical Synthesis, Synthetic Reagents
assay   99%
mp   293-295 °C (lit.)
SMILES string   O.CCCCCCCCCCCC1c2cc(C(CCCCCCCCCCC)c3cc(C(CCCCCCCCCCC)c4cc(C(CCCCCCCCCCC)c5cc1c(O)cc5O)c(O)cc4O)c(O)cc3O)c(O)cc2O
InChI   1S/C72H112O8.H2O/c1-5-9-13-17-21-25-29-33-37-41-53-57-45-59(67(75)49-65(57)73)54(42-38-34-30-26-22-18-14-10-6-2)61-47-63(71(79)51-69(61)77)56(44-40-36-32-28-24-20-16-12-8-4)64-48-62(70(78)52-72(64)80)55(60-46-58(53)66(74)50-68(60)76)43-39-35-31-27-23-19-15-11-7-3;/h45-56,73-80H,5-44H2,1-4H3;1H2
InChI key   JKLZYDGPENNXSJ-UHFFFAOYSA-N

Description

Packaging

1 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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