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4-Methylbenzyl 1H-1,2,4-triazol-3-yl sulfone

Catalog No: FT-0680130

CAS No: 338393-13-8

Chemical Name: 4-Methylbenzyl 1H-1,2,4-triazol-3-yl sulfone
Molecular Formula: C10H11N3O2S
Molecular Weight: 237.28
InChI Key: YYQTWXHTIYSIRV-UHFFFAOYSA-N
InChI: InChI=1S/C10H11N3O2S/c1-8-2-4-9(5-3-8)6-16(14,15)10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13)

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:	5-[(4-methylphenyl)methylsulfonyl]-1H-1,2,4-triazole
Flash_Point:	243.7ºC
Melting_Point:	195ºC
FW:	237.27800
Density:	1.371g/cm3
CAS:	338393-13-8
Bolling_Point:	479.3ºC at 760mmHg
MF:	C10H11N3O2S

Flash_Point:	243.7ºC
Refractive_Index:	1.598
FW:	237.27800
Density:	1.371g/cm3
Bolling_Point:	479.3ºC at 760mmHg
Computational_Chemistry:	['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :3 ', '6. TPSA 841 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :317 ', '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:	2.16780
Melting_Point:	195ºC
PSA:	84.09000
MF:	C10H11N3O2S
More_Info:	['1 . Appearance 粉末 ', '2 . Density（g/mL20ºC）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（ºC4mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（º C4mmHg）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,）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']
Exact_Mass:	237.05700