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112208 Sigma-Aldrich

4-Nitrobenzoyl chloride

98%

  • CAS Number 122-04-3

  • Linear Formula O2NC6H4COCl

  • Molecular Weight 185.56

  •  Beilstein/REAXYS Number 473192

  •  EC Number 204-517-4

  •  MDL number MFCD00007345

  •  PubChem Substance ID 24847076

  •  NACRES NA.22

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Properties

Related Categories Acid Halides, Building Blocks, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks More...
Quality Level   200
assay   98%
bp   202-205 °C/105 mmHg (lit.)
mp   71-74 °C (lit.)
SMILES string   [O-][N+](=O)c1ccc(cc1)C(Cl)=O
InChI   1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H
InChI key   SKDHHIUENRGTHK-UHFFFAOYSA-N

Description

General description

4-Nitrobenzoyl chloride reacts with triphenylphosphonium salt to synthesize benzofurans (potential positron emission tomography (PET) tracers) by the intramolecular Wittig reaction.It has been used for the derivatisation of Adiol (Androstenediol, an endogenous proliferation agent of prostate cancer).

Packaging

50, 250, 500 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS05  GHS05
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 3261 8 / PGII
WGK Germany 
WGK 2
Flash Point(F) 
215.6 °F - closed cup
Flash Point(C) 
102 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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