Methyl 3-nitrobenzoate

Catalog No: FT-0628575

CAS No: 618-95-1

Molecular Formula: 181.15
Formula Weight: C8H7NO4
Inchl Key: AXLYJLKKPUICKV-UHFFFAOYSA-N
Inchl: InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	78-80 °C(lit.)
CAS:	618-95-1
MF:	C8H7NO4
Flash_Point:	136.8±21.8 °C
Product_Name:	Methyl 3-nitrobenzoate
Density:	1.3±0.1 g/cm3
FW:	181.145
Bolling_Point:	284.7±13.0 °C at 760 mmHg

Refractive_Index:	1.554
Vapor_Pressure:	0.0±0.6 mmHg at 25°C
Flash_Point:	136.8±21.8 °C
LogP:	1.82
Bolling_Point:	284.7±13.0 °C at 760 mmHg
Water_Solubility:	insoluble
FW:	181.145
PSA:	72.12000
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 721 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :211 ', '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:	78-80 °C(lit.)
MF:	C8H7NO4
Exact_Mass:	181.037506
Density:	1.3±0.1 g/cm3
More_Info:	['1 . Appearance 淡Yellow 粉末。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）78-80 ', '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 Insoluble in Water 。']