4-METHYL-1,2,4-TRIAZOLINE-3,5-DIONE

Catalog No: FT-0636860

CAS No: 13274-43-6

Chemical Name: 4-METHYL-1,2,4-TRIAZOLINE-3,5-DIONE
Molecular Formula: C3H3N3O2
Molecular Weight: 113.08
InChI Key: XRYKNRLGZZNWEE-UHFFFAOYSA-N
InChI: InChI=1S/C3H3N3O2/c1-6-2(7)4-5-3(6)8/h1H3

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

Base Information
Chemical Information

Melting_Point:	107-109ºC(lit.)
CAS:	13274-43-6
MF:	C3H3N3O2
Flash_Point:	36.9ºC
Product_Name:	4-methyl-1,2,4-triazole-3,5-dione
Density:	1.71g/cm3
FW:	113.07500
Bolling_Point:	137.5ºC at 760mmHg

Refractive_Index:	1.697
Vapor_Pressure:	7.04mmHg at 25°C
Flash_Point:	36.9ºC
Bolling_Point:	137.5ºC at 760mmHg
FW:	113.07500
PSA:	62.10000
Computational_Chemistry:	['1. XlogP :02 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 621 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :155 ', '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:	107-109ºC(lit.)
MF:	C3H3N3O2
Exact_Mass:	113.02300
Molecular_Structure:	['. Molar refractive index 2539 ', '2 . Molar volume （m3/mol）658 ', '3 . Parachor （902K）1928 ', '4 . Surface tension 734 ', '5 . Polarizability 1006']
Density:	1.71g/cm3
More_Info:	['1．. Appearance 不可用 ', '2．. Density（g/mL,25/4℃）不可用 ', '3．. Relative vapor density（g/mL,Atmosphere =1）不可用 ', '4．. Melting point（ºC）107-109 ', '5．. Boiling point（ºC,Atmospheric pressure）不可用 ', '6．. Boiling point（ºC,52kPa）不可用 ', '7．. Refractive index不可用 ', '8．. Flash point（ºC）不可用 ', '9．. Specific rotation（º）不可用 ', '10．. Spontaneous ignition point or ignition temperature（ºC）不可用 ', '11．. Vapor pressure（kPa,25ºC）不可用 ', '12．. Saturated vapor pressure（kPa,60ºC）不可用 ', '13．. Combustion heat（KJ/mol）不可用 ', '14．. Critical temperature（ºC）不可用 ', '15．. Critical pressure（KPa）不可用 ', '16．. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '17．. Upper limit of explosion（%,V/V）不可用 ', '18．. Lower limit of explosion（%,V/V）不可用 ', '19．. Solubility 不可用']