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529-19-1,MFCD00001792
Catalog No.:AA0039NC

529-19-1 | O-Tolunitrile

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5g
98%
in stock  
$29.00   $20.00
- +
25g
>98.0%(GC)
in stock  
$29.00   $20.00
- +
100g
98%
in stock  
$95.00   $67.00
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500g
>98.0%(GC)
in stock  
$123.00   $86.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0039NC
Chemical Name:
O-Tolunitrile
CAS Number:
529-19-1
Molecular Formula:
C8H7N
Molecular Weight:
117.1479
MDL Number:
MFCD00001792
SMILES:
N#Cc1ccccc1C
NSC Number:
66549
UN Number:
1759
Properties
Computed Properties
 
Complexity:
131  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
XLogP3:
2.2  

Literature

Title: Zinc oxide nanoparticles catalyzed condensation reaction of isocoumarins and 1,7-heptadiamine in the formation of bis-isoquinolinones.

Journal: TheScientificWorldJournal 20120101

Title: A scaled quantum mechanical approach of vibrational analysis of o-tolunitrile based on FTIR and FT Raman spectra, ab initio, Hartree Fock and DFT methods.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091201

Title: Formation of fullerooxazoles from C61HPh(3-): the regioselectivity of heteroatom additions.

Journal: The Journal of organic chemistry 20091106

Title: N-[3-(2-Methyl-phen-yl)isoquinolin-1-yl]formamide.

Journal: Acta crystallographica. Section E, Structure reports online 20090501

Title: 4-[(2H-Tetra-zol-2-yl)meth-yl]benzonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20080201

Title: Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.

Journal: Studies in mycology 20080101

Title: What definitively controls the photochemical activity of methylbenzonitriles and methylanisoles? Insights from theory.

Journal: The journal of physical chemistry. A 20070705

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: A reexamination of the adsorption of CO and nitriles on alkali-metal mordenites: characterization of multiple interactions.

Journal: Physical chemistry chemical physics : PCCP 20050621

Title: Surface modification of H-ferrierite by reaction with triethoxysilane.

Journal: The journal of physical chemistry. B 20050120

Title: Fourier transform infrared spectroscopic study of the adsorption of CO and nitriles on Na-mordenite: evidence of a new interaction.

Journal: The journal of physical chemistry. B 20050120

Title: Activation energies for the singlet excited state processes of substituted benzenes: para, meta, and ortho isomers of methylbenzonitrile and methylanisole in acetonitrile.

Journal: Journal of the American Chemical Society 20040728

Title: Cis-bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, cis-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, cis-tetrachlorobis(isobutyronitrile)tin(IV), cis-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and cis-tetrachlorobis(o-toluonitrile)tin(IV), all determined at ca 150 K.

Journal: Acta crystallographica. Section C, Crystal structure communications 20030901

Title: Asymmetric synthesis of the protoberberine alkaloid (S)-(-)-xylopinine using enantiopure sulfinimines.

Journal: The Journal of organic chemistry 20020222

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