1-(4-nitrophenyl)sulfonyl-1,2,4-triazole

Catalog No: FT-0719712

CAS No: 57777-84-1

Chemical Name: 1-(4-nitrophenyl)sulfonyl-1,2,4-triazole
Molecular Formula: C8H6N4O4S
Molecular Weight: 254.23
InChI Key: HMNOLKQVFZCVIW-UHFFFAOYSA-N
InChI: InChI=1S/C8H6N4O4S/c13-12(14)7-1-3-8(4-2-7)17(15,16)11-6-9-5-10-11/h1-6H

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

Melting_Point:	140-142 °C(lit.)
FW:	254.22300
CAS:	57777-84-1
MF:	C8H6N4O4S
Flash_Point:	260ºC
Product_Name:	1-(4-nitrophenyl)sulfonyl-1,2,4-triazole
Bolling_Point:	506.4ºC at 760mmHg
Density:	1.49 g/mL(lit.)

FW:	254.22300
Refractive_Index:	1.726
Flash_Point:	260ºC
LogP:	2.02730
Bolling_Point:	506.4ºC at 760mmHg
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）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（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 (mg/mL)Unknow']
Computational_Chemistry:	['1. XlogP :11 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 119 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :379 ', '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:	140-142 °C(lit.)
MF:	C8H6N4O4S
Exact_Mass:	254.01100
Molecular_Structure:	['1 . Molar refractive index 5979 ', '2 . Molar volume （m3/mol）1503 ', '3 . Parachor （902K）4538 ', '4 . Surface tension 831 ', '5 . Polarizability 2370']
Density:	1.49 g/mL(lit.)
PSA:	119.05000