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1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole

Catalog No: FT-0641648

CAS No: 77451-51-5

Chemical Name: 1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
Molecular Formula: C9H8N4O4S
Molecular Weight: 268.25
InChI Key: ZQMJAWSQRGYFBM-UHFFFAOYSA-N
InChI: InChI=1S/C9H8N4O4S/c1-7-2-4-8(5-3-7)18(16,17)12-6-10-9(11-12)13(14)15/h2-6H,1H3

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

Product_Name:	1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
Flash_Point:	269.8±28.2 °C
Melting_Point:	133-135 °C(lit.)
FW:	268.249
Density:	1.6±0.1 g/cm3
CAS:	77451-51-5
Bolling_Point:	522.4±43.0 °C at 760 mmHg
MF:	C9H8N4O4S

Molecular_Structure:	['五分子性质数据 ', '1 . Molar refractive index 6421 ', '2 . Molar volume （m3/mol）1655 ', '3 . Parachor （902K）4849 ', '4 . Surface tension 736 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 2545']
LogP:	1.16
Flash_Point:	269.8±28.2 °C
Refractive_Index:	1.703
FW:	268.249
Density:	1.6±0.1 g/cm3
Bolling_Point:	522.4±43.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :18 ', '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 :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :407 ', '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:	133-135 °C(lit.)
PSA:	119.05000
MF:	C9H8N4O4S
Vapor_Pressure:	0.0±1.4 mmHg at 25°C
Exact_Mass:	268.026611