Chemical Name: 1-(4-Nitrophenyl)-3-pyrrolidino-2-pyrazolin-5-one
Molecular Formula: C13H14N4O3
Molecular Weight: 274.28
InChI Key: GMXRVALYFNKUTQ-UHFFFAOYSA-N
InChI: InChI=1S/C13H14N4O3/c18-13-9-12(15-7-1-2-8-15)14-16(13)10-3-5-11(6-4-10)17(19)20/h3-6H,1-2,7-9H2

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Symbol:	GHS07
CAS:	30818-17-8
Flash_Point:	222.6ºC
Product_Name:	1-(4-Nitrophenyl)-3-pyrrolidino-2-pyrazolin-5-one
Bolling_Point:	444.4ºC at 760 mmHg
FW:	274.27500
Melting_Point:	205-208 °C(lit.)
MF:	C13H14N4O3
Density:	1.47g/cm3

Refractive_Index:	1.708
Flash_Point:	222.6ºC
LogP:	1.70250
Bolling_Point:	444.4ºC at 760 mmHg
PSA:	81.73000
Molecular_Structure:	['1 . Molar refractive index 7228 ', '2 . Molar volume （m3/mol）1853 ', '3 . Parachor （902K）5310 ', '4 . Surface tension 674 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 2865']
Computational_Chemistry:	['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 817 ', '7. Heavy Atom Count :20 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :431 ', '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']
Melting_Point:	205-208 °C(lit.)
MF:	C13H14N4O3
Exact_Mass:	274.10700
FW:	274.27500
Density:	1.47g/cm3
More_Info:	['1 . Appearance 橘Yellow 粉末 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）205-208 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']

Symbol:	GHS07
Risk_Statements(EU):	R36/37/38
HS_Code:	2933990090
WGK_Germany:	3
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
RIDADR:	NONH for all modes of transport
Hazard_Codes:	Xi: Irritant;
Warning_Statement:	P261-P305 + P351 + P338
Safety_Statements:	H315-H319-H335