3-Methyl-2-nitrobenzoic acid
Catalog No: FT-0616069
CAS No: 5437-38-7
- Molecular Formula: 181.15
- Formula Weight: C8H7NO4
- Inchl Key: DGDAVTPQCQXLGU-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H7NO4/c1-5-3-2-4-6(8(10)11)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: | 5437-38-7 |
| Flash_Point: | 153.4±13.0 °C |
| Product_Name: | 3-Methyl-2-nitrobenzoic acid |
| Bolling_Point: | 340.0±30.0 °C at 760 mmHg |
| FW: | 181.145 |
| Melting_Point: | 220-223 °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: | 153.4±13.0 °C |
| LogP: | 2.02 |
| Bolling_Point: | 340.0±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 （10 -24cm 3）1766'] |
| Computational_Chemistry: | ['1 . XlogP 16 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 804 ', '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: | 220-223 °C(lit.) |
| MF: | C8H7NO4 |
| Exact_Mass: | 181.037506 |
| FW: | 181.145 |
| Density: | 1.4±0.1 g/cm3 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）220-223 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）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 <01 g/100 mL at 22 ºC'] |
| Symbol: | GHS07 |
|---|---|
| Risk_Statements(EU): | R20/21/22;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: | Xn:Harmful; |
| Warning_Statement: | P261-P305 + P351 + P338 |
| Safety_Statements: | H315-H319-H335 |
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