Methyl 3,5-dinitrobenzoate

Catalog No: FT-0628516

CAS No: 2702-58-1

Chemical Name: Methyl 3,5-dinitrobenzoate
Molecular Formula: C8H6N2O6
Molecular Weight: 226.14 g/mol
InChI Key: POGCCFLNFPIIGW-UHFFFAOYSA-N
InChI: InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,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

Symbol:	GHS07
CAS:	2702-58-1
Flash_Point:	174.1ºC
Product_Name:	Methyl 3,5-dinitrobenzoate
Bolling_Point:	357ºC at 760 mmHg
FW:	226.14300
Melting_Point:	107-109 °C(lit.)
MF:	C8H6N2O6
Density:	1.497 g/cm3

Refractive_Index:	1.592
Vapor_Pressure:	2.81E-05mmHg at 25°C
Flash_Point:	174.1ºC
LogP:	2.33600
Bolling_Point:	357ºC at 760 mmHg
PSA:	117.94000
Molecular_Structure:	['1 . Molar refractive index 5527 ', '2 . Molar volume （m3/mol）1695 ', '3 . Parachor （902K）4529 ', '4 . Surface tension 509 ', '5 . Polarizability 2191']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 118 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :285 ', '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']
Melting_Point:	107-109 °C(lit.)
MF:	C8H6N2O6
Exact_Mass:	226.02300
FW:	226.14300
Density:	1.497 g/cm3
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）107-109 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']