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510440

Sigma-Aldrich

4-Cyanobenzophenone

97%

Synonym(s):

4-Benzoylbenzonitrile

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About This Item

Linear Formula:
NCC6H4OCC6H5
CAS Number:
1503-49-7
Molecular Weight:
207.23
EC Number:
216-126-6
MDL number:
MFCD00016382
UNSPSC Code:
12352100
PubChem Substance ID:
24873502
NACRES:
NA.22

Quality Level

100

Assay

97%

mp

110-114 °C (lit.)

SMILES string

O=C(c1ccccc1)c2ccc(cc2)C#N

InChI

1S/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H

InChI key

YSZWJJANSNFQMM-UHFFFAOYSA-N

General description

4-Cyanobenzophenone is a benzophenone derivative that can be prepared by treating 4-cyanobenzoyl chloride with benzene. Its reduction under electrochemical condition led to the formation of 4-t-butyl-benzophenone and 1-(4-cyanophenyl)-2,2-dimthyl-1-phenylpropan-1-ol. Its efficiency as triplet sensitizer for norbornadiene(N)→quadriciane(Q) and Q→N photoisomerization has been assessed.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - 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)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Electrochemically induced aromatic nucleophilic substitution.
Pinson J and Saveant JM.
Journal of the American Chemical Society, 100(5), 1506-1510 (1978)
Mechanistic approach to the sensitization process of aromatic ketones in the isomerization between norbornadiene and quadricyclane.
Arai T, et al.
Bulletin of the Chemical Society of Japan, 60(8), 2937-2943 (1987)
Electrochemical t-Butylation of Some Aromatic Ketones.
Kristensen LH and Lund H.
Acta Chemica Scandinavica. Series B, 33, 735-741 (1979)

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