benzotriazol-1-yl(thiophen-2-yl)methanone

Catalog No: FT-0749217

CAS No: 301164-69-2

Chemical Name: benzotriazol-1-yl(thiophen-2-yl)methanone
Molecular Formula: C11H7N3OS
Molecular Weight: 229.26
InChI Key: NPHXTBJFXYNMCF-UHFFFAOYSA-N
InChI: InChI=1S/C11H7N3OS/c15-11(10-6-3-7-16-10)14-9-5-2-1-4-8(9)12-13-14/h1-7H

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:	N/A
CAS:	301164-69-2
MF:	C11H7N3OS
Density:	N/A
Melting_Point:	175-179ºC(lit.)
Product_Name:	benzotriazol-1-yl(thiophen-2-yl)methanone
Flash_Point:	N/A
FW:	229.25800

PSA:	76.02000
Molecular_Structure:	['1 . Molar refractive index 6431 ', '2 . Molar volume （m3/mol）1561 ', '3 . Parachor （902K）4434 ', '4 . Surface tension 650 ', '5 . Polarizability （10 -24cm 3）2549']
MF:	C11H7N3OS
LogP:	2.18130
Computational_Chemistry:	['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 76 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :286 ', '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 Solid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）175-179 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，02mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,217ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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:	229.03100
FW:	229.25800
Melting_Point:	175-179ºC(lit.)