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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

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

C89803-1KG:
C89803-BULK:
C89803-25G:4548173192864
C89803-5G:4548173192871
C89803-VAR:

Certificates of Analysis (COA)

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The critical role of signal transducer and activator of transcription 3 (Stat3) in the growth and survival of human tumor cells identifies it as a promising target for cancer drug discovery. We previously identified a Stat3 SH2 domain-binding phosphopeptide, PY*LKTK
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Analytical chemistry, 79(2), 736-743 (2007-01-16)
A capillary electrophoresis method with laser-induced fluorescence detection for the chiral separation of cyanobenz[f]isoindole (CBI) derivatives of amino acids was developed and optimized. The enantioseparations are accomplished with sulfated beta-CD (S-beta-CD) as chiral selector at low pH and reverse polarity.
Federico Polo et al.
Journal of the American Chemical Society, 127(2), 492-493 (2005-01-13)
The rate constant of intramolecular electron transfer through oligopeptides based on the alpha-aminoisobutyric acid residue was determined as a function of the peptide length and found to depend weakly on the donor-acceptor separation. By measuring the electron-transfer activation energy and
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
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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