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931-54-4,MFCD05148520
Catalog No.:AA006I10

931-54-4 | Isocyanobenzene

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250mg
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$252.00   $177.00
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1g
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$662.00   $463.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA006I10
Chemical Name:
Isocyanobenzene
CAS Number:
931-54-4
Molecular Formula:
C7H5N
Molecular Weight:
103.1213
MDL Number:
MFCD05148520
SMILES:
[C-]#[N+]c1ccccc1
Properties
Properties
 
BP:
183.35°C (rough estimate)  
Form:
Liquid  
Refractive Index:
1.6760 (estimate)  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
103  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
XLogP3:
1.6  

Downstream Synthesis Route
13755-29-8   
CASUnavailable 
  75-09-2    931-54-4    5525-95-1   
CASUnavailable 

[1]Bellabarba,RonanM.;Nieuwenhuyzen,Mark;Saunders,GrahamC.[Organometallics,2002,vol.21,#26,p.5726-5737]

Literature

Title: Applications of ortho-phenylisonitrile and ortho-N-Boc aniline for the two-step preparation of novel bis-heterocyclic chemotypes.

Journal: Molecular diversity 20120801

Title: Tandem migration-carboalkoxylation of o-isocyanophenyl acetals leading to benzoxazoles.

Journal: Organic letters 20120203

Title: Penta-carbonyl-1κC,2κC-(4-iodo-phenyl isocyanide-1κC)(μ-propane-1,3-dithiol-ato-1:2κS,S':S,S')iron(I)(Fe-Fe).

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Iron porphyrin dications with neutral axial ligands: DFT calculations delineate similarities with heme protein compound II intermediates.

Journal: The journal of physical chemistry. B 20110407

Title: Enantiomer-selective and helix-sense-selective living block copolymerization of isocyanide enantiomers initiated by single-handed helical poly(phenyl isocyanide)s.

Journal: Journal of the American Chemical Society 20090520

Title: Unprecedented double migratory insertion of phenyl isocyanide into cyclopentadienyl C-H bonds.

Journal: Dalton transactions (Cambridge, England : 2003) 20090214

Title: Vibrational spectroscopic studies and ab initio calculations of 2-cyanophenylisocyanid dichloride.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070701

Title: An unprecedented tandem 1,3-dipolar cycloaddition-cheletropic elimination: a facial approach to novel push-pull olefins.

Journal: Organic & biomolecular chemistry 20070421

Title: Dinuclear gold(I) isocyanide complexes with luminescent properties, and displaying thermotropic liquid crystalline behavior.

Journal: Inorganic chemistry 20061211

Title: Helix-sense controlled polymerization of a single phenyl isocyanide enantiomer leading to diastereomeric helical polyisocyanides with opposite helix-sense and cholesteric liquid crystals with opposite twist-sense.

Journal: Journal of the American Chemical Society 20060125

Title: Reversible and irreversible conformational changes in poly(isocyanide)s: a remote stereoelectronic effect.

Journal: Chemical communications (Cambridge, England) 20050121

Title: Binding of aromatic isocyanides on gold nanoparticle surfaces investigated by surface-enhanced Raman scattering.

Journal: Applied spectroscopy 20040201

Title: Indole synthesis by radical cyclization of o-alkenylphenyl isocyanides and its application to the total synthesis of natural products.

Journal: Chemical record (New York, N.Y.) 20020101

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