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439983 Sigma-Aldrich

Methyl 2-isocyanatobenzoate

97%

  • CAS Number 1793-07-3

  • Linear Formula OCNC6H4CO2CH3

  • Molecular Weight 177.16

  •  MDL number MFCD00013848

  •  PubChem Substance ID 24867555

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, Chemical Synthesis, Isocyanates, Nitrogen Compounds - Organic Building Blocks, Organic Building Blocks More...
Quality Level   100
assay   97%
bp   101 °C/2 mmHg (lit.)
mp   45-49 °C (lit.)
SMILES string   COC(=O)c1ccccc1N=C=O
InChI   1S/C9H7NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-5H,1H3
InChI key   ATFKBWNEVZUSKC-UHFFFAOYSA-N

Description

Application

Methyl 2-isocyanatobenzoate may be used for the following syntheses:
• 3H-quinazolin-4-ones
• A1120, a high affinity (Ki = 8.3nM) non-retinoid ligand for the Retinol-binding protein
• trans- and cis-N-phenyl-N′-(4-phenoxy)cyclohexylureas

Packaging

5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Target organs 
Respiratory system
Personal Protective Equipment 
RIDADR 
UN 3335
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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