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104-85-8,MFCD00001827
Catalog No.:AA007G8S

104-85-8 | P-Tolunitrile

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5g
98%(GC)
in stock  
$24.00   $17.00
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25g
98%(GC)
in stock  
$35.00   $25.00
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100g
98%
in stock  
$69.00   $48.00
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250g
98%
in stock  
$125.00   $87.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA007G8S
Chemical Name:
P-Tolunitrile
CAS Number:
104-85-8
Molecular Formula:
C8H7N
Molecular Weight:
117.1479
MDL Number:
MFCD00001827
SMILES:
N#Cc1ccc(cc1)C
NSC Number:
70985
UN Number:
3273
Properties
Computed Properties
 
Complexity:
123  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
XLogP3:
2.4  

Literature

Title: Nitrile group as infrared probe for the characterization of the conformation of bovine serum albumin solubilized in reverse micelles.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121101

Title: MDM2-p53 protein-protein interaction inhibitors: a-ring substituted isoindolinones.

Journal: Bioorganic & medicinal chemistry letters 20111001

Title: An improved nitrilase-mediated bioprocess for synthesis of nicotinic acid from 3-cyanopyridine with hyperinduced Nocardia globerula NHB-2.

Journal: Journal of industrial microbiology & biotechnology 20110901

Title: Water-soluble alkylated bis{4'-(4-pyridyl)-2,2':6',2''-terpyridine}ruthenium(II) complexes for use as photosensitizers in water oxidation: a complementary experimental and TD-DFT investigation.

Journal: Dalton transactions (Cambridge, England : 2003) 20110528

Title: Vibrational solvatochromism and electrochromism of infrared probe molecules containing C≡O, C≡N, C=O, or C-F vibrational chromophore.

Journal: The Journal of chemical physics 20110421

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Structure-based design and synthesis of potent, ethylenediamine-based, mammalian farnesyltransferase inhibitors as anticancer agents.

Journal: Journal of medicinal chemistry 20101014

Title: Naphthyl methacrylate-based monolithic column for RP-CEC via hydrophobic and pi interactions.

Journal: Electrophoresis 20100301

Title: Reactions of the CN radical with benzene and toluene: product detection and low-temperature kinetics.

Journal: The journal of physical chemistry. A 20100204

Title: Probing the mechanism of electron capture and electron transfer dissociation using tags with variable electron affinity.

Journal: Journal of the American Chemical Society 20090422

Title: 2-p-Tolyl-4,5-dihydro-1H-imidazole.

Journal: Acta crystallographica. Section E, Structure reports online 20090401

Title: Optimized quantum mechanics/molecular mechanics strategies for nitrile vibrational probes: acetonitrile and para-tolunitrile in water and tetrahydrofuran.

Journal: The journal of physical chemistry. B 20081106

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: Efficient nickel mediated carbon-carbon bond cleavage of organonitriles.

Journal: Dalton transactions (Cambridge, England : 2003) 20070528

Title: The butterfly dimer [(tBu3SiO)Cr]2(mu-OSitBu3)2 and its oxidative cleavage to (tBu3SiO)2Cr(=N-N=CPh2)2 and (tBu3SiO)2Cr=N(2,6-Ph2-C6H3).

Journal: Inorganic chemistry 20060306

Title: Syntheses, crystal structures, and luminescent properties of three novel zinc coordination polymers with tetrazolyl ligands.

Journal: Inorganic chemistry 20050725

Title: Synthesis of macrocycles via cobalt-mediated [2 + 2 + 2] cycloadditions.

Journal: Journal of the American Chemical Society 20050316

Title: Multinuclear calixarene synthons with covalently linked aryl-palladium(II) complexes.

Journal: The Journal of organic chemistry 20040917

Title: Selective oxygenation of ring-substituted toluenes with electron-donating and -withdrawing substituents by molecular oxygen via photoinduced electron transfer.

Journal: Journal of the American Chemical Society 20031022

Title: Oxidation of substituted toluenes with molecular oxygen in the presence of N,N',N' '-trihydroxyisocyanuric acid as a key catalyst.

Journal: The Journal of organic chemistry 20030822

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