1-(PHENOXYMETHYL)-1H-BENZOTRIAZOLE

Catalog No: FT-0663113

CAS No: 111198-02-8

Chemical Name: 1-(PHENOXYMETHYL)-1H-BENZOTRIAZOLE
Molecular Formula: C13H11N3O
Molecular Weight: 225.25
InChI Key: XZWVGFYDCFRPDZ-UHFFFAOYSA-N
InChI: InChI=1S/C13H11N3O/c1-2-6-11(7-3-1)17-10-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2

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:	1-(Phenoxymethyl)-1H-benzotriazole
Flash_Point:	205.3±24.0 °C
Melting_Point:	68-71ºC(lit.)
FW:	225.246
Density:	1.2±0.1 g/cm3
CAS:	111198-02-8
Bolling_Point:	415.9±28.0 °C at 760 mmHg
MF:	C13H11N3O

Molecular_Structure:	['1. Molar refractive index 6626 ', '2. Molar volume 183 ', '3. Parachor （902K）4846 ', '4. Surface tension 491 ', '5. Dielectric constant N/A ', '6. Polarizability 2626 ', '7. Single isotope mass 225090212 Da ', '8. Nominal mass 225 Da ', '9. Average mass 2252459 Da']
Flash_Point:	205.3±24.0 °C
Refractive_Index:	1.644
FW:	225.246
Density:	1.2±0.1 g/cm3
Bolling_Point:	415.9±28.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 399 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :243 ', '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:	2.85
Melting_Point:	68-71ºC(lit.)
PSA:	39.94000
MF:	C13H11N3O
More_Info:	['1 . Appearance Colourless or 浅Yellow 结晶 ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC） 128～132 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，05mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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 可Soluble in 汽油苯丙酮等多种有机溶剂，Insoluble in Water ']
Vapor_Pressure:	0.0±0.9 mmHg at 25°C
Exact_Mass:	225.090210