142818-03-9

Name 1-(4-NITROPHENYL)-5-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLIC ACID
CAS 142818-03-9
Molecular Formula C11H6F3N3O4
MDL Number MFCD00173867
Molecular Weight 301.18
MOL File 142818-03-9.mol
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Chemical Properties

Melting point  199-203 °C
Boiling point  452.6±45.0 °C(Predicted)
density  1.65±0.1 g/cm3(Predicted)
form  solid
pka 2.61±0.36(Predicted)
InChI 1S/C11H6F3N3O4/c12-11(13,14)9-8(10(18)19)5-15-16(9)6-1-3-7(4-2-6)17(20)21/h1-5H,(H,18,19)
InChIKey FGHNILTUXGDLKS-UHFFFAOYSA-N
SMILES OC(=O)c1cnn(-c2ccc(cc2)[N+]([O-])=O)c1C(F)(F)F
CAS DataBase Reference 142818-03-9(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R22:Harmful if swallowed.
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:Wear suitable protective clothing .
WGK Germany  3
Hazard Note  Irritant
HS Code  2933199090
Storage Class 13 - Non Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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