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374482 Sigma-Aldrich

N-Benzylquininium chloride

95%

Synonym: QUIBEC

  • CAS Number 67174-25-8

  • Empirical Formula (Hill Notation) C27H31ClN2O2

  • Molecular Weight 451.00

  •  Beilstein/REAXYS Number 5702637

  •  MDL number MFCD00198105

  •  PubChem Substance ID 24863311

  •  NACRES NA.22

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Properties

Related Categories Asymmetric Synthesis, Chemical Synthesis, Chiral Catalysts, Ligands, and Reagents, Phase Transfer Reaction
Quality Level   100
assay   95%
optical activity   [α]20/D −235°, c = 1.5 in H2O
mp   200-205 °C (dec.) (lit.)
SMILES string   [Cl-].COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@+]3(C[C@@H]4C=C)Cc5ccccc5)c2c1
InChI   1S/C27H31N2O2.ClH/c1-3-20-18-29(17-19-7-5-4-6-8-19)14-12-21(20)15-26(29)27(30)23-11-13-28-25-10-9-22(31-2)16-24(23)25;/h3-11,13,16,20-21,26-27,30H,1,12,14-15,17-18H2,2H3;1H/q+1;/p-1/t20-,21-,26-,27+,29+;/m0./s1
InChI key   JYDIJFKNXHPWBJ-GOGFHWEMSA-M

Description

Packaging

5 g in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable
Protocols & Articles
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