ChemicalBook--->CAS DataBase List--->56326-98-8

56326-98-8

56326-98-8 Structure

56326-98-8 Structure
IdentificationBack Directory
[Name]

4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXANONE
[CAS]

56326-98-8
[Synonyms]

Einecs 260-111-7
Levocabastine EP Impurity H
4-Cyano-4-(4-flurophenyl)cyclohexanone
4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXANONE
4-Cyano-4-(4-fluorophenyl)cyclohexanone ,98%
1-(4-FLUOROPHENYL)-4-OXOCYCLOHEXANE-CARBONITRILE
1-(4-Fluorophenyl)-4-oxocyclohexane-1-carbonitrile
Cyclohexanecarbonitrile, 1-(4-fluorophenyl)-4-oxo-
_x005F_x000D_4-Cyano-4-(4-fluorophenyl)cyclohexanone
[EINECS(EC#)]

260-111-7
[Molecular Formula]

C13H12FNO
[MDL Number]

MFCD00044815
[MOL File]

56326-98-8.mol
[Molecular Weight]

217.24
Questions And AnswerBack Directory
[Uses]

4-Cyano-4-(4-fluorophenyl)cyclohexanone is used as a reagent in the synthesis of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11β-HSD1 inhibitors.
Chemical PropertiesBack Directory
[Melting point ]

91-94°C
[Boiling point ]

373.6±42.0 °C(Predicted)
[density ]

1.19±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[Appearance]

White to off-white Solid
[InChI]

1S/C13H12FNO/c14-11-3-1-10(2-4-11)13(9-15)7-5-12(16)6-8-13/h1-4H,5-8H2
[InChIKey]

FNWWTNNFZGBMEM-UHFFFAOYSA-N
[SMILES]

FC1=CC=C(C2(C#N)CCC(CC2)=O)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P501
[RIDADR ]

UN3439
[WGK Germany ]

WGK 3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2926907090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Ethyl acetate-->Methanol-->Tetrahydrofuran-->Dichloromethane-->Petroleum ether-->Magnesium sulfate-->Potassium hydroxide-->Methyl acrylate-->Potassium tert-butoxide-->4-Fluorophenylacetonitrile
Spectrum DetailBack Directory
[Spectrum Detail]

4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXANONE(56326-98-8)1HNMR
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