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1503-49-7

1503-49-7 Structure

1503-49-7 Structure
IdentificationMore
[Name]

4-CYANOBENZOPHENONE
[CAS]

1503-49-7
[Synonyms]

4-BENZOYLBENZONITRILE
4-CYANOBENZOPHENONE
P-CYANOBENZOPHENONE
4-Cyano-benzophenon
Benzonitrile, 4-benzoyl-
benzophenone-4-carbonitrile
[EINECS(EC#)]

216-126-6
[Molecular Formula]

C14H9NO
[MDL Number]

MFCD00016382
[Molecular Weight]

207.23
[MOL File]

1503-49-7.mol
Chemical PropertiesBack Directory
[Appearance]

slightly yellow crystalline powder
[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 DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

3439
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

4-CYANOBENZOPHENONE(1503-49-7)1HNMR
4-CYANOBENZOPHENONE(1503-49-7)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Cyanobenzophenone, 98%(1503-49-7)
[Alfa Aesar]

4-Cyanobenzophenone, 98%(1503-49-7)
[Sigma Aldrich]

1503-49-7(sigmaaldrich)
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