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156167 Sigma-Aldrich

3-Hydroxy-4-nitrobenzaldehyde

97%

  • CAS Number 704-13-2

  • Linear Formula HOC6H3(NO2)CHO

  • Molecular Weight 167.12

  •  Beilstein/REAXYS Number 2556882

  •  EC Number 211-879-7

  •  MDL number MFCD00007109

  •  PubChem Substance ID 24849596

  •  NACRES NA.22

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Properties

Related Categories Aldehydes, Building Blocks, C7, Carbonyl Compounds, Chemical Synthesis,
Quality Level   100
assay   97%
mp   127-131 °C (lit.)
SMILES string   [H]C(=O)c1ccc(c(O)c1)[N+]([O-])=O
InChI   1S/C7H5NO4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-4,10H
InChI key   AUBBVPIQUDFRQI-UHFFFAOYSA-N

Description

Application

3-Hydroxy-4-nitrobenzaldehyde is the aldehyde component in a study of an enantioselective thioester aldol reaction. This reaction has been catalyzed by copper(II) triflate in the presence of a chiral bisoxazoline ligand. The product has been used as a chromophoric substrate for probing the catalytic mechanism of horse liver alcohol dehydrogenase.

Packaging

1, 10 g in poly bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
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
Peer-Reviewed Papers
15

References

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