55579-72-1

Name 5-(4-FLUOROPHENYL)CYCLOHEXANE-1,3-DIONE
CAS 55579-72-1
Molecular Formula C12H11FO2
MDL Number MFCD00174037
Molecular Weight 206.21
MOL File 55579-72-1.mol
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Chemical Properties

Melting point  186-189 °C(lit.)
Boiling point  353.8±42.0 °C(Predicted)
density  1.228±0.06 g/cm3(Predicted)
form  crystalline powder
pka 4.90±0.20(Predicted)
color  Yellow
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
InChIKey LBTLJACXBCUFEF-UHFFFAOYSA-N
SMILES Fc1ccc(cc1)C2CC(=O)CC(=O)C2
CAS DataBase Reference 55579-72-1(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
WGK Germany  3
Hazard Note  Irritant
HS Code  2914790090
Storage Class 11 - Combustible Solids

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