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C89803

Sigma-Aldrich

4-Cyanobenzoic acid

99%

Synonym(s):

Terephthalic acid mononitrile

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About This Item

Linear Formula:
NCC6H4CO2H
CAS Number:
619-65-8
Molecular Weight:
147.13
Beilstein:
1862865
EC Number:
210-606-9
MDL number:
MFCD00002528
UNSPSC Code:
12352103
PubChem Substance ID:
24893119
NACRES:
NA.23

Quality Level

100

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
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
Lisa A Hoferkamp et al.
Environmental science & technology, 40(7), 2206-2212 (2006-05-02)
The reductive transformation of p-cyanonitrobenzene (pCNB) was investigated in laboratory batch slurries exhibiting dominant terminal electron accepting processes (TEAPs). Pseudo-first-order rate constants (k(obs)) were measured for the reduction of pCNB in nitrate-reducing, iron-reducing, sulfate-reducing, and methanogenic sediment slurries. Reduction was
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
P Boudeville et al.
Journal of pharmaceutical sciences, 84(9), 1083-1089 (1995-09-01)
A new methodology of pH-metric data treatment was developed to extract the stoichiometry and the thermodynamic association constants of guest-cyclodextrin inclusion complexes in dilute aqueous solution when the guest is a participant in an acid-base equilibrium. pH-metric titration curves in
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
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