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About This Item
Empirical Formula (Hill Notation):
C12H11FO2
CAS Number:
Molecular Weight:
206.21
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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![5-[3,4-(Methylenedioxy)phenyl]-1,3-cyclohexanedione 97%](/deepweb/assets/sigmaaldrich/product/structures/152/217/84e176c9-f742-4cc0-9a04-1be8f08f7a6b/640/84e176c9-f742-4cc0-9a04-1be8f08f7a6b.png)
Quality Level
Assay
97%
mp
186-189 °C (lit.)
functional group
fluoro
ketone
SMILES string
Fc1ccc(cc1)C2CC(=O)CC(=O)C2
InChI
1S/C12H11FO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2
InChI key
LBTLJACXBCUFEF-UHFFFAOYSA-N
General description
5-(4-Fluorophenyl)-1,3-cyclohexanedione is a cyclohexane-1,3-dione derivative.
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
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Cyclocondensation of 3 (5)-Aminopyrazoles with Arylglyoxals and Cyclohexane-1, 3-diones.
Petrova ON, et al.
Chemistry of Heterocyclic Compounds, 49(7), 955-967 (2013)
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