Molecular Formula: 254.26
Formula Weight: C10H10N2O4S
Inchl Key: VEMGKBUHUTYHHA-UHFFFAOYSA-N
Inchl: InChI=1S/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6H,5H2,1H3,(H,14,15,16)

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

FW:	254.26200
CAS:	119-17-5
Flash_Point:	N/A
MF:	C10H10N2O4S
Symbol:	Warning
Bolling_Point:	N/A
Melting_Point:	335 °C(lit.)
Product_Name:	3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Density:	1.53 g/cm3

FW:	254.26200
MF:	C10H10N2O4S
Computational_Chemistry:	['1. XlogP :0 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 954 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :451 ', '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']
LogP:	1.62730
PSA:	95.42000
Exact_Mass:	254.03600
Refractive_Index:	1.633
Melting_Point:	335 °C(lit.)
Density:	1.53 g/cm3
Molecular_Structure:	['五分子性质数据 ', '1 . Molar refractive index 6181 ', '2 . Molar volume （m3/mol）1661 ', '3 . Parachor （902K）4696 ', '4 . Surface tension 639 ', '5 . Polarizability 2450']
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）335 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, 13mmHg）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（mmHg,ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Symbol:	GHS07
WGK_Germany:	1
Warning_Statement:	P280
Safety_Statements:	H317
RIDADR:	NONH for all modes of transport
Risk_Statements(EU):	R43
Hazard_Codes:	Xi:Irritant;
HS_Code:	2933199090