4-CYANOBENZOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H5NO2
Molecular Weight	147.1308
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC=C(C=C1)C#N

InChI

InChIKey=ADCUEPOHPCPMCE-UHFFFAOYSA-N

InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C8H5NO2
Molecular Weight	147.1308
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
A cyclic-RGD-BioShuttle functionalized with TMZ by DARinv "Click Chemistry" targeted to αvβ3 integrin for therapy.	2010-09-21	20922134
Solvent and temperature effects on diastereodifferentiating Paternó-Büchi reaction of chiral alkyl cyanobenzoates with diphenylethene upon direct versus charge-transfer excitation.	2010-08-20	20704423
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.	2010-05-28	20567614
The Diels-Alder-reaction with inverse-electron-demand, a very efficient versatile click-reaction concept for proper ligation of variable molecular partners.	2009-12-05	20046231
A direct white-light-emitting metal-organic framework with tunable yellow-to-white photoluminescence by variation of excitation light.	2009-09-30	19772357
Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies.	2009-04-20	19301919
Luminescent gold(I) metallo-acids and their hydrogen bonded supramolecular liquid crystalline derivatives with decyloxystilbazole as hydrogen acceptor.	2008-12-28	19050775
4-(1H-Tetra-zol-5-yl)benzoic acid monohydrate.	2008-06-28	21202986
Synthesis and characterization of CN-modified protein analogues as potential vibrational contrast agents.	2007-06	17316745
Enantioseparation and stacking of Cyanobenz[f]isoindole-amino acids by reverse polarity capillary electrophoresis and sulfated beta-cyclodextrin.	2007-01-15	17222044
A hydrogen-bonded heterodimer of 1-(4-hexyloxyphenyl)pyridin-4(1H)-one with 4-cyanobenzoic acid.	2006-10	17008746
Crystal structures and magnetic and luminescent properties of a series of homodinuclear lanthanide complexes with 4-cyanobenzoic ligand.	2006-08-07	16878940
Reduction of diesters of 1,2-diols. Regioselective C-O bond cleavage of the anionic forms.	2006-06-23	16776509
Nitroaromatic reduction kinetics as a function of dominant terminal electron acceptor processes in natural sediments.	2006-04-01	16646454
Evidence against the hopping mechanism as an important electron transfer pathway for conformationally constrained oligopeptides.	2005-01-19	15643851
Novel peptidomimetic inhibitors of signal transducer and activator of transcription 3 dimerization and biological activity.	2004-03	15026546
Inhibitory effect of 4-cyanobenzaldehyde and 4-cyanobenzoic acid on mushroom (Agaricus bisporus) tyrosinase.	2003-11	14714727
Site distribution in resin beads as determined by confocal Raman spectroscopy.	2001-09-17	11596929
The photochemistry of 2-(1-naphthyl)ethyl benzoates: cycloaddition and intramolecular exciplex formation.	2001-05-04	11325264

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:59:09 GMT 2025` Edited by `admin` on `Mon Mar 31 18:59:09 GMT 2025`
Record UNII	50Z9A3423Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-6306

Preferred Name

English

4-CYANOBENZOIC ACID

Systematic Name

English

P-CYANOBENZOIC ACID

Common Name

English

BENZOIC ACID, P-CYANO-

Systematic Name

English

4-CARBOXYBENZONITRILE

Systematic Name

English

BENZOIC ACID, 4-CYANO-

Systematic Name

English

CYANOBENZOIC ACID, 4-

Common Name

English

P-CARBOXYBENZONITRILE

Common Name

English

CYANOBENZOIC ACID, P-

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

681253