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5-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole

Catalog No: FT-0739983

CAS No: 134796-34-2

Chemical Name: 5-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole
Molecular Formula: C9H8ClN3S
Molecular Weight: 225.7
InChI Key: IPYLPWUQKVUWGY-UHFFFAOYSA-N
InChI: InChI=1S/C9H8ClN3S/c10-8-3-1-7(2-4-8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(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

Bolling_Point:	420.4ºC at 760 mmHg
CAS:	134796-34-2
MF:	C9H8ClN3S
Density:	1.43g/cm3
Melting_Point:	N/A
Product_Name:	5-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole
Flash_Point:	208.1ºC
FW:	225.69800

MF:	C9H8ClN3S
Density:	1.43g/cm3
Computational_Chemistry:	['1. XlogP :3 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :3 ', '6. TPSA 669 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :173 ', '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']
More_Info:	['1 . Appearance 粉末 ', '2 . Density（g/mL,20℃）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,KPa）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（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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:	225.01300
Vapor_Pressure:	2.81E-07mmHg at 25°C
Flash_Point:	208.1ºC
PSA:	66.87000
Molecular_Structure:	['1. Molar refractive index 5845 ', '2. Molar volume 1574 ', '3. Parachor （902K）4595 ', '4. Surface tension 724 ', '5. Dielectric constant N/A ', '6. Polarizability 2317 ', '7. Single isotope mass 225012745 Da ', '8. Nominal mass 225 Da ', '9. Average mass 2256979 Da']
LogP:	2.75040
Bolling_Point:	420.4ºC at 760 mmHg
FW:	225.69800
Refractive_Index:	1.664