3-Methyl-4-nitrobenzoic acid
Catalog No: FT-0616090
CAS No: 3113-71-1
- Molecular Formula: 181.15
- Formula Weight: C8H7NO4
- Inchl Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)
| 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: | 3113-71-1 |
| Flash_Point: | 161.2±13.0 °C |
| Product_Name: | 3-Methyl-4-nitrobenzoic acid |
| Bolling_Point: | 356.0±30.0 °C at 760 mmHg |
| FW: | 181.145 |
| Melting_Point: | 216-218 °C(lit.) |
| MF: | C8H7NO4 |
| Density: | 1.4±0.1 g/cm3 |
| Refractive_Index: | 1.601 |
|---|---|
| Vapor_Pressure: | 0.0±0.8 mmHg at 25°C |
| Flash_Point: | 161.2±13.0 °C |
| LogP: | 2.35 |
| Bolling_Point: | 356.0±30.0 °C at 760 mmHg |
| PSA: | 83.12000 |
| Molecular_Structure: | ['1 . Molar refractive index 4455 ', '2 . Molar volume （m3/mol）1300 ', '3 . Parachor （902K）3625 ', '4 . Surface tension 603 ', '5 . Polarizability 1766'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 831 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :223 ', '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: | 216-218 °C(lit.) |
| MF: | C8H7NO4 |
| Exact_Mass: | 181.037506 |
| FW: | 181.145 |
| Density: | 1.4±0.1 g/cm3 |
| More_Info: | ['1 . Appearance White or 微Yellow 粉末 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）216-218 ', '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 可Soluble in Water '] |
| Symbol: | GHS07 |
|---|---|
| Risk_Statements(EU): | R36/37/38 |
| HS_Code: | 2916399090 |
| 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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