4-CYANOBENZOPHENONE Chemical Properties

Melting point:

110-114 °C(lit.)

Boiling point:

346.25°C (rough estimate)

Density 

1.1259 (rough estimate)

refractive index 

1.4700 (estimate)

storage temp. 

Sealed in dry,Room Temperature

form 

solid

color 

White

Water Solubility 

Insoluble in water.

BRN 

641181

InChI

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

InChIKey

YSZWJJANSNFQMM-UHFFFAOYSA-N

SMILES

C(#N)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1

CAS DataBase Reference

1503-49-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36

RIDADR 

3439

WGK Germany 

3

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269095

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

4-CYANOBENZOPHENONE Usage And Synthesis

Chemical Properties

slightly yellow crystalline powder

Uses

Substituted benzophenones?are used to determine the quantum yields for norbornadiene(N)?quadricyclane(Q) and Q?N isomerization. It is employed as a triplet sensitizers.

Synthesis Reference(s)

The Journal of Organic Chemistry, 41, p. 1187, 1976 DOI: 10.1021/jo00869a023
Tetrahedron Letters, 26, p. 4819, 1985 DOI: 10.1016/S0040-4039(00)94960-8

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.

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