1076225-27-8

Name 4-((1R,2R)-2-Hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile
CAS 1076225-27-8
Molecular Formula C14H14F3NO
MDL Number MFCD17215970
Molecular Weight 269.26
MOL File 1076225-27-8.mol

Chemical Properties

Boiling point  365.2±42.0 °C(Predicted)
density  1.28±0.1 g/cm3(Predicted)
storage temp.  Store at +4°C
solubility  DMSO: ≥10mg/mL
form  powder
pka 14.84±0.40(Predicted)
color  white to off-white
InChI 1S/C14H14F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h5-7,11,13,19H,1-4H2/t11-,13-/m1/s1
InChIKey MENRRRXHFQYXDW-DGCLKSJQSA-N
SMILES O[C@@H]1CCCC[C@@H]1c2ccc(C#N)c(c2)C(F)(F)F

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H319
Precautionary statements  P305+P351+P338
Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2

Hazard Information

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