MilliporeSigma
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C89803

Sigma-Aldrich

4-Cyanobenzoic acid

99%

Synonym(s):
Terephthalic acid mononitrile
Linear Formula:
NCC6H4CO2H
CAS Number:
Molecular Weight:
147.13
Beilstein:
1862865
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.23

Quality Level

assay

99%

form

liquid crystal

mp

219-221 °C (dec.) (lit.)

SMILES string

OC(=O)c1ccc(cc1)C#N

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

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Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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V Arjunan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 78(5), 1449-1454 (2011-02-26)
The Fourier transform infrared (FTIR) and FT-Raman spectra of p-cyanobenzoic acid (CBA) have been recorded in the range 4000-400 and 4000-100 cm(-1), respectively. The complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using
Wan-Yin Fang et al.
Chemistry, an Asian journal, 12(17), 2323-2331 (2017-07-13)
A one-pot Pd-catalyzed carbonylation of phenols into their corresponding aryl carboxylic acids and esters through the insertion of carbon monoxide has been developed. This procedure offers a direct synthesis of aryl carboxylic acids and esters from inexpensive and abundant starting
Qiao Chen et al.
Journal of protein chemistry, 22(7-8), 607-612 (2004-01-13)
Mushroom tyrosinase (EC 1.14.18.1), a copper containing oxidase, catalyzes both the hydroxylation of tyrosine into o-diphenols and the oxidation of o-diphenols into o-quinones. In the current study, the effects of 4-cyanobenzaldehyde and 4-cyanobenzoic acid on the monophenolase and diphenolase activities
Silverio Coco et al.
Dalton transactions (Cambridge, England : 2003), (48)(48), 6894-6900 (2008-12-04)
Gold complexes of 4-isocyanobenzoic acid, [AuX(CNC(6)H(4)CO(2)H)] (X = C[triple bond]C-C(6)H(4)-C(9)H(19), C(6)F(5), C(6)F(4)OC(6)H(13), C(6)F(4)C(6)F(4)Br) and [(mu-4,4'-C(6)F(4)C(6)F(4)){Au(CNC(6)H(4)CO(2)H)}(2)], have been isolated. These metallo-acids are luminescent. The single crystal X-ray diffraction study of [Au(C(6)F(5))(CNC(6)H(4)CO(2)H)](infinity) confirms a rod-like structure of the molecule, with a linear
Matthew Noestheden et al.
Bioorganic chemistry, 35(3), 284-293 (2007-02-24)
A recombinant VH single-domain antibody recognizing staphylococcal protein A was functionalized on reactive lysine residues with N-hydroxysuccimidyl-activated 4-cyanobenzoate. Surface plasmon resonance analysis of antibody-antigen binding revealed that modified and unmodified antibodies bound protein A with similar affinities. Raman imaging of

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