4,5-Dimethoxy-2-nitrobenzoic acid
Catalog No: FT-0621282
CAS No: 4998-07-6
- Molecular Formula: 226.16
- Formula Weight: C9H8NO6-
- Inchl Key: WWCMFGBGMJAJRX-UHFFFAOYSA-M
- Inchl: InChI=1S/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)/p-1
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | GHS07 |
|---|---|
| CAS: | 4998-07-6 |
| Flash_Point: | 201.4±28.7 °C |
| Product_Name: | 4,5-Dimethoxy-2-nitrobenzoic acid |
| Bolling_Point: | 409.5±45.0 °C at 760 mmHg |
| FW: | 227.171 |
| Melting_Point: | 195-197 °C(lit.) |
| MF: | C9H9NO6 |
| Density: | 1.4±0.1 g/cm3 |
| Refractive_Index: | 1.570 |
|---|---|
| Vapor_Pressure: | 0.0±1.0 mmHg at 25°C |
| Flash_Point: | 201.4±28.7 °C |
| LogP: | 2.12 |
| Bolling_Point: | 409.5±45.0 °C at 760 mmHg |
| PSA: | 101.58000 |
| Molecular_Structure: | ['1 . Molar refractive index 5308 ', '2 . Molar volume （m3/mol）1618 ', '3 . Parachor （902K）4382 ', '4 . Surface tension 537 ', '5 . Polarizability （10 -24cm 3）2104'] |
| Computational_Chemistry: | ['1 . XlogP 12 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 989 ', '6 . Heavy Atom Count 16 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 276 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 3'] |
| Melting_Point: | 195-197 °C(lit.) |
| MF: | C9H9NO6 |
| Exact_Mass: | 227.042984 |
| FW: | 227.171 |
| Density: | 1.4±0.1 g/cm3 |
| More_Info: | ['1 . Appearance Yellow 针状结晶，含05mol结晶Water ', '2 . Density（g/mL）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）194 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC,3mmHg）不确定 ', '7 . Refractive index（nD20）不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）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'] |
| Symbol: | GHS07 |
|---|---|
| Risk_Statements(EU): | R36/37/38 |
| HS_Code: | 2918990090 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| RIDADR: | NONH for all modes of transport |
| Hazard_Codes: | Xi:Irritant; |
| Warning_Statement: | P261-P305 + P351 + P338 |
| Safety_Statements: | H315-H319-H335 |
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