FT-0601650 CAS:5081-37-8 chemical structure

3-Methoxy-4-nitrobenzoic acid methyl ester

Name: 3-Methoxy-4-nitrobenzoic acid methyl ester
Rating: 4.5 (11 reviews)

Catalog No: FT-0601650

CAS No: 5081-37-8

Molecular Formula: 211.17
Formula Weight: C9H9NO5
Inchl Key: PVVFEPFLFHDHHK-UHFFFAOYSA-N
Inchl: InChI=1S/C9H9NO5/c1-14-8-5-6(9(11)15-2)3-4-7(8)10(12)13/h3-5H,1-2H3

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:	86-88°C
CAS:	5081-37-8
MF:	C9H9NO5
Flash_Point:	168.3±25.7 °C
Product_Name:	methyl3-methoxy-4-nitrobenzoate
Density:	1.3±0.1 g/cm3
FW:	211.171
Bolling_Point:	350.7±27.0 °C at 760 mmHg

Refractive_Index:	1.541
Vapor_Pressure:	0.0±0.8 mmHg at 25°C
Flash_Point:	168.3±25.7 °C
LogP:	1.55
Bolling_Point:	350.7±27.0 °C at 760 mmHg
PSA:	81.35000
Molecular_Structure:	['1 . Molar refractive index 5125 ', '2 . Molar volume （m3/mol）1631 ', '3 . Parachor （902K）4242 ', '4 . Surface tension 457 ', '5 . Polarizability （10 -24cm 3）2031']
Computational_Chemistry:	['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 814 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :249 ', '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:	86-88°C
MF:	C9H9NO5
Exact_Mass:	211.048065
FW:	211.171
Density:	1.3±0.1 g/cm3
More_Info:	['1 . Appearance 晶体状粉末 ', '2 . Density（g/mL,25）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）86-88 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC,03 mmHg）不确定 ', '7 . Refractive index（nD20）不确定 ', '8 . Flash point（°F）不确定 ', '9 . Specific rotation（º, C=1, Water ）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']