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124826

Sigma-Aldrich

4-Cyanobenzoyl chloride

98%

Synonym(s):

4-Cyanobenzoic acid chloride, p-Cyanobenzoyl chloride

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About This Item

Linear Formula:
NCC6H4COCl
CAS Number:
6068-72-0
Molecular Weight:
165.58
Beilstein/REAXYS Number:
386729
EC Number:
228-005-5
MDL number:
MFCD00001822
UNSPSC Code:
12352100
PubChem Substance ID:
24847629
NACRES:
NA.22

Quality Level

100

assay

98%

form

solid

mp

68-70 °C (lit.)

SMILES string

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

InChI

1S/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H

InChI key

USEDMAWWQDFMFY-UHFFFAOYSA-N

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General description

4-Cyanobenzoyl chloride participates in the benzylamine acylation of Argopore MB-CHO resin in the presence of pyridine and catalyst. It reacts with 4-hydroxy-2,2,6,6-tetramethyl-1-piperidinoxyl (4-hydroxy-TEMPO) in pyridine under nitrogen atmosphere to form 4-cyanobenzoyl-TEMPO.

Application

4-Cyanobenzoyl chloride has been used in the synthesis of new liquid crystalline heteroaromatic compounds containing the five-membered isoxazole, tetrazole and 1,2,4-oxadiazole rings. It has been used in the synthesis of substituted benzoate esters and to study their excited-state behavior.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Certificates of Analysis (COA)

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Intramolecular electron transfer in the photochemistry of substituted 1-naphthylmethyl esters of benzoic acids.
DeCosta, DP and Pincock JA.
Canadian Journal of Chemistry, 70(7), 1879-1885 (1992)
[2 patients with intestinal perforation following coagulation of the tubes by means of laparoscopy].
F J van Assen et al.
Nederlands tijdschrift voor geneeskunde, 119(8), 304-306 (1975-02-22)
Magnetic field effects on the photoinduced electron transfer of 10-methylphenothiazine with 4-(4-cyanobenzoyloxy) TEMPO in fluid solutions.
Mori Y, et al.
Chemical Physics Letters, 286(5-6), 446-451 (1998)
Synthesis of liquid crystals materials derived from oxadiazole, isoxazole and tetrazole heterocycles.
dos Santos DR, et al.
ARKIVOC (Gainesville, FL, United States), 17, 157-166 (2008)
Md Najbul Hoque et al.
Dalton transactions (Cambridge, England : 2003), 44(34), 15220-15231 (2015-05-15)
Anion complexation properties of two new tripodal amide receptors have been extensively studied here. Two tripodal receptors have been synthesized from the reaction of cyanobenzoyl acid chloride with two tri-amine building blocks such as (i) tris(2-aminoethyl)amine and (ii) tris(2-(4-aminophenoxy)ethyl)amine, which

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