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1010396-29-8

Name S-23
CAS 1010396-29-8
EINECS(EC#) 1532714-185-1
Molecular Formula C18H13ClF4N2O3
MDL Number MFCD24849232
Molecular Weight 416.75
MOL File 1010396-29-8.mol

Chemical Properties

Melting point  119-121 °C
Boiling point  577.1±50.0 °C(Predicted)
density  1.48±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), Methanol (Slightly)
form  neat
pka 12.04±0.29(Predicted)
color  White to Off-White
optical activity [α]/D 20±3°, c = 0.1 in chloroform
BRN  19161994
InChI InChI=1S/C18H13ClF4N2O3/c1-17(27,9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21,22)23/h2-7,27H,9H2,1H3,(H,25,26)/t17-/m0/s1
InChIKey SSFVOEAXHZGTRJ-KRWDZBQOSA-N
SMILES C(NC1=CC=C(C#N)C(C(F)(F)F)=C1)(=O)[C@](O)(C)COC1=CC=C(Cl)C(F)=C1

Safety Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  3

Hazard Information

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