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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:
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.)

functional group

acyl chloride

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

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

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

124826-VAR:
124826-25G:4548173103877
124826-5KG:
124826-BULK:
124826-1G:4548173103860
124826-5G:4548173103884

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Certificates of Analysis (COA)

Lot/Batch Number
STBG1941V
S66308V
S66308
S37971
09216BW

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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)
[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)
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)
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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