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 |
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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 |
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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 |
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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 |