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Isocyanobenzene

CAS No.:
931-54-4
Catalog Number:
AG006I3S
Molecular Formula:
C7H5N
Molecular Weight:
103.1213
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
90%
1 week
United States
$294
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Product Description
Catalog Number:
AG006I3S
Chemical Name:
Isocyanobenzene
CAS Number:
931-54-4
Molecular Formula:
C7H5N
Molecular Weight:
103.1213
MDL Number:
MFCD05148520
IUPAC Name:
isocyanobenzene
InChI:
InChI=1S/C7H5N/c1-8-7-5-3-2-4-6-7/h2-6H
InChI Key:
RCIBIGQXGCBBCT-UHFFFAOYSA-N
SMILES:
[C-]#[N+]c1ccccc1
EC Number:
213-239-2
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.042g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
103.124g/mol
Monoisotopic Mass:
103.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Applications of ortho-phenylisonitrile and ortho-N-Boc aniline for the two-step preparation of novel bis-heterocyclic chemotypes. Molecular diversity 20120801
Tandem migration-carboalkoxylation of o-isocyanophenyl acetals leading to benzoxazoles. Organic letters 20120203
Penta-carbonyl-1κC,2κC-(4-iodo-phenyl isocyanide-1κC)(μ-propane-1,3-dithiol-ato-1:2κS,S':S,S')iron(I)(Fe-Fe). Acta crystallographica. Section E, Structure reports online 20111201
Iron porphyrin dications with neutral axial ligands: DFT calculations delineate similarities with heme protein compound II intermediates. The journal of physical chemistry. B 20110407
Enantiomer-selective and helix-sense-selective living block copolymerization of isocyanide enantiomers initiated by single-handed helical poly(phenyl isocyanide)s. Journal of the American Chemical Society 20090520
Unprecedented double migratory insertion of phenyl isocyanide into cyclopentadienyl C-H bonds. Dalton transactions (Cambridge, England : 2003) 20090214
Vibrational spectroscopic studies and ab initio calculations of 2-cyanophenylisocyanid dichloride. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070701
An unprecedented tandem 1,3-dipolar cycloaddition-cheletropic elimination: a facial approach to novel push-pull olefins. Organic & biomolecular chemistry 20070421
Dinuclear gold(I) isocyanide complexes with luminescent properties, and displaying thermotropic liquid crystalline behavior. Inorganic chemistry 20061211
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 of the American Chemical Society 20060125
Reversible and irreversible conformational changes in poly(isocyanide)s: a remote stereoelectronic effect. Chemical communications (Cambridge, England) 20050121
Binding of aromatic isocyanides on gold nanoparticle surfaces investigated by surface-enhanced Raman scattering. Applied spectroscopy 20040201
Indole synthesis by radical cyclization of o-alkenylphenyl isocyanides and its application to the total synthesis of natural products. Chemical record (New York, N.Y.) 20020101
Properties