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Merck
CN

C89803

4-Cyanobenzoic acid

99%

Synonym(s):

Terephthalic acid mononitrile

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About This Item

Linear Formula:
NCC6H4CO2H
CAS Number:
Molecular Weight:
147.13
UNSPSC Code:
12352103
NACRES:
NA.23
PubChem Substance ID:
EC Number:
210-606-9
Beilstein/REAXYS Number:
1862865
MDL number:
Assay:
99%
Form:
liquid crystal
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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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signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Daniel L Kirschner et al.
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
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



Global Trade Item Number

SKUGTIN
C89803-5G04061833523063
C89803-25G04061833486672