4-Methyl-1,2,4-triazolidine-3,5-dione

Catalog No: FT-0692531

CAS No: 16312-79-1

Chemical Name: 4-Methyl-1,2,4-triazolidine-3,5-dione
Molecular Formula: C3H5N3O2
Molecular Weight: 115.09
InChI Key: XJOOWWMZMXBLAO-UHFFFAOYSA-N
InChI: InChI=1S/C3H5N3O2/c1-6-2(7)4-5-3(6)8/h1H3,(H,4,7)(H,5,8)

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:	235-237ºC(lit.)
CAS:	16312-79-1
MF:	C3H5N3O2
Flash_Point:	N/A
Product_Name:	4-Methyl-1,2,4-triazolidine-3,5-dione
Density:	1.4±0.1 g/cm3
FW:	115.091
Bolling_Point:	N/A

Refractive_Index:	1.488
LogP:	-1.92
PSA:	70.65000
Molecular_Structure:	['1 . Molar refractive index 2445 ', '2 . Molar volume 848 ', '3 . Parachor （902K）2136 ', '4 . Surface tension 402 ', '5 . Polarizability 969 ', '6 . Dielectric constant 未确定']
Computational_Chemistry:	['1. XlogP :-09 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 614 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :128 ', '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:	235-237ºC(lit.)
MF:	C3H5N3O2
Exact_Mass:	115.038177
FW:	115.091
Density:	1.4±0.1 g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）2350-2370 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,21hPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（20ºC）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 Unknow']