Home Other Building Blocks 4-Cyanobenzoic acid

4-Cyanobenzoic acid

CAS No.:
619-65-8
Catalog Number:
AG0036YI
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$42
- +
100g
98%
In Stock USA
United States
$119
- +
500g
95%(HPLC)
In Stock USA
United States
$547
- +
Product Description
Catalog Number:
AG0036YI
Chemical Name:
4-Cyanobenzoic acid
CAS Number:
619-65-8
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD00002528
IUPAC Name:
4-cyanobenzoic acid
InChI:
InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
InChI Key:
ADCUEPOHPCPMCE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)O
EC Number:
210-606-9
UNII:
50Z9A3423Z
NSC Number:
6306
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.032g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.133g/mol
Monoisotopic Mass:
147.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
DFT and ab initio quantum chemical studies on p-cyanobenzoic acid. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110501
Solvent and temperature effects on diastereodifferentiating Paternó-Büchi reaction of chiral alkyl cyanobenzoates with diphenylethene upon direct versus charge-transfer excitation. The Journal of organic chemistry 20100820
The Diels-Alder-reaction with inverse-electron-demand, a very efficient versatile click-reaction concept for proper ligation of variable molecular partners. International journal of medical sciences 20100101
Gain of a 500-fold sensitivity on an intravital MR contrast agent based on an endohedral gadolinium-cluster-fullerene-conjugate: a new chance in cancer diagnostics. International journal of medical sciences 20100101
A cyclic-RGD-BioShuttle functionalized with TMZ by DARinv 'Click Chemistry' targeted to αvβ3 integrin for therapy. International journal of medical sciences 20100101
A direct white-light-emitting metal-organic framework with tunable yellow-to-white photoluminescence by variation of excitation light. Journal of the American Chemical Society 20090930
Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies. Inorganic chemistry 20090420
Luminescent gold(I) metallo-acids and their hydrogen bonded supramolecular liquid crystalline derivatives with decyloxystilbazole as hydrogen acceptor. Dalton transactions (Cambridge, England : 2003) 20081228
4-(1H-Tetra-zol-5-yl)benzoic acid monohydrate. Acta crystallographica. Section E, Structure reports online 20080701
Synthesis and characterization of CN-modified protein analogues as potential vibrational contrast agents. Bioorganic chemistry 20070601
Enantioseparation and stacking of Cyanobenz[f]isoindole-amino acids by reverse polarity capillary electrophoresis and sulfated beta-cyclodextrin. Analytical chemistry 20070115
A hydrogen-bonded heterodimer of 1-(4-hexyloxyphenyl)pyridin-4(1H)-one with 4-cyanobenzoic acid. Acta crystallographica. Section C, Crystal structure communications 20061001
Crystal structures and magnetic and luminescent properties of a series of homodinuclear lanthanide complexes with 4-cyanobenzoic ligand. Inorganic chemistry 20060807
Reduction of diesters of 1,2-diols. Regioselective C-O bond cleavage of the anionic forms. The Journal of organic chemistry 20060623
Nitroaromatic reduction kinetics as a function of dominant terminal electron acceptor processes in natural sediments. Environmental science & technology 20060401
Evidence against the hopping mechanism as an important electron transfer pathway for conformationally constrained oligopeptides. Journal of the American Chemical Society 20050119
Novel peptidomimetic inhibitors of signal transducer and activator of transcription 3 dimerization and biological activity. Molecular cancer therapeutics 20040301
Inhibitory effect of 4-cyanobenzaldehyde and 4-cyanobenzoic acid on mushroom (Agaricus bisporus) tyrosinase. Journal of protein chemistry 20031101
Site distribution in resin beads as determined by confocal Raman spectroscopy. Chemistry (Weinheim an der Bergstrasse, Germany) 20010917
The photochemistry of 2-(1-naphthyl)ethyl benzoates: cycloaddition and intramolecular exciplex formation. The Journal of organic chemistry 20010504
Properties