510440
4-Cyanobenzophenone
97%
Synonym(s):
4-Benzoylbenzonitrile
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About This Item
Linear Formula:
NCC6H4OCC6H5
CAS Number:
Molecular Weight:
207.23
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
216-126-6
MDL number:
Assay:
97%
InChI key
YSZWJJANSNFQMM-UHFFFAOYSA-N
InChI
1S/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H
SMILES string
O=C(c1ccccc1)c2ccc(cc2)C#N
assay
97%
mp
110-114 °C (lit.)
functional group
ketone, nitrile, phenyl
Quality Level
Related Categories
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.
signalword
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
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
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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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