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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