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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

Certificates of Analysis (COA)

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James Turkson et al.
Molecular cancer therapeutics, 3(3), 261-269 (2004-03-18)
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
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
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
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
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
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