Molecular Formula: 301.18
Formula Weight: C11H6F3N3O4
Inchl Key: FGHNILTUXGDLKS-UHFFFAOYSA-N
Inchl: 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)

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Symbol:	Warning
FW:	301.17800
Density:	N/A
CAS:	142818-03-9
Bolling_Point:	N/A
Product_Name:	1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
Melting_Point:	199-203 °C
Flash_Point:	N/A
MF:	C11H6F3N3O4

Computational_Chemistry:	['1. XlogP :22 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 101 ', '7. Heavy Atom Count :21 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :418 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Molecular_Structure:	['1. Molar refractive index 6265 ', '2. Molar volume 1822 ', '3. Parachor （902K）4955 ', '4. Surface tension 546 ', '5. Dielectric constant N/A ', '6. Polarizability 2483 ', '7. Single isotope mass 30403104 Da ', '8. Nominal mass 301 Da ', '9. Average mass 3011782 Da']
LogP:	3.02070
Melting_Point:	199-203 °C
FW:	301.17800
More_Info:	['1 . Appearance 奶油色的晶体状粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）199-203 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 1673 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Insoluble in Water ']
PSA:	100.94000
MF:	C11H6F3N3O4
Exact_Mass:	301.03100

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard_Codes:	Xn,Xi
Risk_Statements(EU):	R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin .
Safety_Statements:	S26-S36
Symbol:	Warning
Warning_Statement:	P261-P305 + P351 + P338
RIDADR:	NONH for all modes of transport
HS_Code:	2933199090
WGK_Germany:	3