2,4,6-TRIBROMOPHENYL N-HEXANOATE

Catalog No: FT-0637412

CAS No: 16732-09-5

Chemical Name: 2,4,6-TRIBROMOPHENYL N-HEXANOATE
Molecular Formula: C12H13Br3O2
Molecular Weight: 428.94
InChI Key: WKADNUIXFNFRSW-UHFFFAOYSA-N
InChI: InChI=1S/C12H13Br3O2/c1-2-3-4-5-11(16)17-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5H2,1H3

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:	2,4,6-Tribromophenyl caproate
Flash_Point:	195.8ºC
Melting_Point:	N/A
FW:	428.94200
Density:	1.77
CAS:	16732-09-5
Bolling_Point:	400.1ºC at 760 mmHg
MF:	C12H13Br3O2

Molecular_Structure:	['1 . Molar refractive index 7919 ', '2 . Molar volume （m3/mol）2416 ', '3 . Parachor （902K）6194 ', '4 . Surface tension 431 ', '5 . Polarizability 3139']
LogP:	5.45980
Flash_Point:	195.8ºC
Refractive_Index:	1.569
FW:	428.94200
Density:	1.77
Bolling_Point:	400.1ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :57 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :236 ', '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']
PSA:	26.30000
MF:	C12H13Br3O2
More_Info:	['1. Appearance Unknow 2 . Density（g/mL,25/4 ℃ ） 177 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,52kPa）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（kPa,25ºC）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']
Vapor_Pressure:	1.31E-06mmHg at 25°C
Exact_Mass:	425.84700