Home Aldehydes 4-Cyanobenzaldehyde

4-Cyanobenzaldehyde

CAS No.:
105-07-7
Catalog Number:
AG003L94
Molecular Formula:
C8H5NO
Molecular Weight:
131.1314
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$19
- +
100g
97%
In Stock USA
United States
$57
- +
500g
97%
In Stock USA
United States
$207
- +
Product Description
Catalog Number:
AG003L94
Chemical Name:
4-Cyanobenzaldehyde
CAS Number:
105-07-7
Molecular Formula:
C8H5NO
Molecular Weight:
131.1314
MDL Number:
MFCD00003376
IUPAC Name:
4-formylbenzonitrile
InChI:
InChI=1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H
InChI Key:
WZWIQYMTQZCSKI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C#N
EC Number:
203-267-3
UNII:
DWH62Y9TCA
NSC Number:
5091
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.037g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.134g/mol
Monoisotopic Mass:
131.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
2,2-Diethyl 3,4-dimethyl 5-(4-cyano-phen-yl)pyrrolidine-2,2,3,4-tetra-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20120801
Competing intermolecular interactions in some 'bridge-flipped' isomeric phenylhydrazones. Acta crystallographica. Section C, Crystal structure communications 20120701
4-[(1E)-3-(2,6-Dichloro-3-fluoro-phen-yl)-3-oxoprop-1-en-1-yl]benzonitrile. Acta crystallographica. Section E, Structure reports online 20120501
Identification of novel CYP2A6 inhibitors by virtual screening. Bioorganic & medicinal chemistry 20111201
4-[(2-Hy-droxy-naphthalen-1-yl)(morpholin-4-yl)meth-yl]benzonitrile. Acta crystallographica. Section E, Structure reports online 20111201
4-[Bis(1H-indol-3-yl)meth-yl]benzonitrile. Acta crystallographica. Section E, Structure reports online 20110701
4-(4,4-Difluoro-1,3,5,7-tetra-methyl-3a-aza-4a-azonia-4-borata-s-indacen-8-yl)benzonitrile. Acta crystallographica. Section E, Structure reports online 20110401
Inherently chiral calixarenes: synthesis, optical resolution, chiral recognition and asymmetric catalysis. International journal of molecular sciences 20110101
The catalytic promiscuity of a microbial 7α-hydroxysteroid dehydrogenase. Reduction of non-steroidal carbonyl compounds. Steroids 20110101
3-(4-Cyano-phen-yl)-N-phenyl-oxirane-2-carboxamide. Acta crystallographica. Section E, Structure reports online 20101101
4-[(E)-2-(2,4,6-Trinitro-phenyl)ethyl-idene]benzonitrile. Acta crystallographica. Section E, Structure reports online 20101001
Discovery of novel sphingosine kinase-1 inhibitors. Part 2. Bioorganic & medicinal chemistry letters 20100801
N'-(4-Cyano-benzyl-idene)furan-2-carbohydrazide monohydrate. Acta crystallographica. Section E, Structure reports online 20100701
N'-(4-Cyano-benzyl-idene)thio-phene-2-carbohydrazide. Acta crystallographica. Section E, Structure reports online 20100601
4-(5-Phenyl-1,2,4-triazolo[3,4-a]isoquinolin-3-yl)benzonitrile. Acta crystallographica. Section E, Structure reports online 20100501
Ethyl 4-(4-cyano-phen-yl)-6-methyl-2-thioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20090801
4-{2-[4-(Dimethyl-amino)phen-yl]ethyl-idene}benzonitrile. Acta crystallographica. Section E, Structure reports online 20090601
4-[1-(4-Cyano-benz-yl)-1H-benzimidazol-2-yl]benzonitrile. Acta crystallographica. Section E, Structure reports online 20090401
N,N'-Bis[(E)-4-cyano-benzyl-idene]urea. Acta crystallographica. Section E, Structure reports online 20090201
4-Cyano-benzaldehyde thio-semi-carbazone. Acta crystallographica. Section E, Structure reports online 20090101
4-[(E)-(3-Methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)imino-meth-yl]benzonitrile. Acta crystallographica. Section E, Structure reports online 20080701
4,4'-[Propane-1,3-diylbis(nitrilo-methyl-idyne)]dibenzonitrile. Acta crystallographica. Section E, Structure reports online 20080701
4-(4-Cyano-benzoyl-meth-yl)benzonitrile. Acta crystallographica. Section E, Structure reports online 20080601
Isostructuralism among bridge-flipped' isomeric benzylideneanilines and phenylhydrazones. Acta crystallographica. Section B, Structural science 20070601
Efficient synthesis of meso-substituted corroles in a H2O-MeOH mixture. The Journal of organic chemistry 20060512
Bioreactive surfaces prepared via the self-assembly of dendron thiols and subsequent dendrimer bridging reactions. Langmuir : the ACS journal of surfaces and colloids 20050301
Continuous hydrogenation reactions in a tube reactor packed with Pd/C. Chemical communications (Cambridge, England) 20050107
Inhibitory effect of 4-cyanobenzaldehyde and 4-cyanobenzoic acid on mushroom (Agaricus bisporus) tyrosinase. Journal of protein chemistry 20031101
The lowest excited triplet (T1) energies of p-methoxybenzaldehyde and p-cyanobenzaldehyde vapors estimated from the temperature dependence of the T2(n, pi*) phosphorescence and the S1(n, pi*) fluorescence spectra. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20030101
Properties