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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