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Sigma-Aldrich

3-Cyanobenzoesäure

98%

Synonym(e):

Isophthalsäure-mononitril

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About This Item

Lineare Formel:
NCC6H4CO2H
CAS-Nummer:
1877-72-1
Molekulargewicht:
147.13
Beilstein:
1862566
EG-Nummer:
217-511-1
MDL-Nummer:
MFCD00002486
UNSPSC-Code:
12352100
PubChem Substanz-ID:
24849661
NACRES:
NA.22

Assay

98%

Form

powder

mp (Schmelzpunkt)

220-224 °C (lit.)

SMILES String

OC(=O)c1cccc(c1)C#N

InChI

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

InChIKey

GYLKKXHEIIFTJH-UHFFFAOYSA-N

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Anwendung

3-Cyanobenzoic acid was used in the preparation of new Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers via in situ [2+3] cycloaddition reactions with NaN3 in the presence of Zn(II) and/or Co(II) salts under hydrothermal conditions. It was also used in the synthesis of three-dimensional coordination polymer, [Mn3(OH)2Na2(3-cnba)6]n (3-Hcnba = 3-cyanobenzoic acid).

Piktogramme

Exclamation mark
GHS07

Signalwort

Warning

Gefahreneinstufungen

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Zielorgane

Respiratory system

Lagerklassenschlüssel

11 - Combustible Solids

WGK

WGK 3

Flammpunkt (°F)

Not applicable

Flammpunkt (°C)

Not applicable

Persönliche Schutzausrüstung

dust mask type N95 (US), Eyeshields, Gloves

Analysenzertifikate (COA)

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Wei-Chao Song et al.
Inorganic chemistry, 48(8), 3792-3799 (2009-03-24)
In our continuing efforts to explore the effects of ligand modifications on the structures and properties of their metal complexes, we studied the in situ [2 + 3] cycloaddition reactions of benzonitrile, o-phthalodinitrile, 3-cyanobenzoic acid, 4-cyanobenzoic acid with NaN(3) in
Jin-Tang Li et al.
Inorganic chemistry, 44(13), 4448-4450 (2005-06-21)
A three-dimensional coordination polymer, [Mn3(OH)2Na2(3-cnba)6]n (1) (3-Hcnba = 3-cyanobenzoic acid), has been synthesized by the reaction of MnCl2, NaN3, and 3-Hcnba in water. Its crystal structure was determined by single-crystal X-ray diffraction. Magnetic studies show that the complex behaves as
Tomoko Abe et al.
The Journal of antibiotics, 70(4), 435-442 (2016-10-13)
The adenylation domain of nonribosomal peptide synthetase (NRPS) is responsible for the selective substrate recognition and its activation (as an acyl-O-AMP intermediate) during ATP consumption. DhbE, a stand-alone adenylation domain, acts on an aromatic acid, 2,3-dihydroxybenzoic acid (DHB). This activation
Homan Kang et al.
Scientific reports, 5, 10144-10144 (2015-05-29)
Recently, preparation and screening of compound libraries remain one of the most challenging tasks in drug discovery, biomarker detection, and biomolecular profiling processes. So far, several distinct encoding/decoding methods such as chemical encoding, graphical encoding, and optical encoding have been

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