Chemical Properties of 2-Methyl-5-nitroaniline (CAS 99-55-8)

2-Methyl-5-nitroaniline

InChI
InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3
InChI Key
DSBIJCMXAIKKKI-UHFFFAOYSA-N
Formula
C7H8N2O2
SMILES
Cc1ccc([N+](=O)[O-])cc1N
Molecular Weight1
152.15
CAS
99-55-8
Other Names
  • (2-Methyl-5-nitrophenyl)amine
  • 1-Methyl-2-amino-4-nitrobenzene
  • 2-Amino-4-nitrotoluene
  • 2-Methyl-5-nitro-benzeneamine
  • 2-Methyl-5-nitrobenzenamine
  • 3-Nitro-6-methylaniline
  • 4-Nitro-2-aminotoluene
  • 5-Nitro-O-toluidine
  • 6-Methyl-3-nitroaniline
  • Amarthol Fast Scarlet G Base
  • Amarthol Fast Scarlet G Salt
  • Azoene Fast Scarlet G Salt
  • Azoene fast scarlet gc base
  • Azoene fast scarlet gc salt
  • Azofix scarlet g salt
  • Azogene fast scarlet g
  • Azoic diazo component 12, base
  • Benzenamine, 2-methyl-5-nitro-
  • C.I. 37105
  • C.I. Azoic diazo component 12
  • Conazoic Diazo AB
  • Dainichi Fast Scarlet G Base
  • Daito scarlet base g
  • Devol scarlet b
  • Devol scarlet g salt
  • Diabase scarlet g
  • Diazo fast scarlet g
  • Fast Scarlet M 4NT Base
  • Fast red sg base
  • Fast scarlet base G
  • Fast scarlet base j
  • Fast scarlet g
  • Fast scarlet g base
  • Fast scarlet g salt
  • Fast scarlet gc base
  • Fast scarlet j salt
  • Fast scarlet t base
  • Hiltonil fast scarlet g base
  • Hiltonil fast scarlet g salt
  • Hiltonil fast scarlet gc base
  • Kayaku scarlet g base
  • Lake scarlet g base
  • Lithosol orange R base
  • Mitsui scarlet g base
  • NCI-C01843
  • Naphthanil scarlet g base
  • Naphtoelan fast scarlet g base
  • Naphtoelan fast scarlet g salt
  • PNOT
  • RCRA waste number U181
  • Scarlet base NSP
  • Scarlet base ciba II
  • Scarlet base irga II
  • Scarlet g base
  • Sugai fast scarlet g base
  • Symulon scarlet g base
  • o-Toluidine, 5-nitro-
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Physical Properties

Property Value Unit Source
ΔcH°solid [-3811.70; -3809.30] kJ/mol Show Hide
ΔcH°solid -3809.30 ± 1.30 kJ/mol NIST
ΔcH°solid -3811.70 ± 1.40 kJ/mol NIST
ΔfH°gas 35.72 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.71 kJ/mol Joback Calculated Property
ΔvapH° 77.44 kJ/mol Relay (1.0) Calculated Property
IE 8.44 eV Relay (1.0) Calculated Property
log10WS -2.42 Relay (1.0) Calculated Property
logPoct/wat 1.485 Crippen Calculated Property
McVol 113.130 ml/mol McGowan Calculated Property
Inp [272.14; 272.81]   Show Hide
Inp 272.14 NIST
Inp 272.81 NIST
Tboil 559.56 K Relay (1.0) Calculated Property
Tfus 380.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [149.37; 338.06] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.20000e+00
Coefficient B6.32180e-01
Coefficient C-3.75920e-04
Coefficient D7.86000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 149.37 J/mol×K 273.00 Calculated Property
Cp,gas 183.28 J/mol×K 353.78 Calculated Property
Cp,gas 213.38 J/mol×K 434.56 Calculated Property
Cp,gas 239.91 J/mol×K 515.33 Calculated Property
Cp,gas 263.12 J/mol×K 596.11 Calculated Property
Cp,gas 283.25 J/mol×K 676.89 Calculated Property
Cp,gas 300.57 J/mol×K 757.67 Calculated Property
Cp,gas 315.31 J/mol×K 838.44 Calculated Property
Cp,gas 327.72 J/mol×K 919.22 Calculated Property
Cp,gas 338.06 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [397.52; 614.02] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.25107e+01
Coefficient B-3.79209e+03
Coefficient C-8.72810e+01
Temperature range, min.397.52
Temperature range, max.614.02
Pvap 1.33 kPa 397.52 Calculated Property
Pvap 3.21 kPa 421.58 Calculated Property
Pvap 6.88 kPa 445.63 Calculated Property
Pvap 13.39 kPa 469.69 Calculated Property
Pvap 24.08 kPa 493.74 Calculated Property
Pvap 40.55 kPa 517.80 Calculated Property
Pvap 64.63 kPa 541.85 Calculated Property
Pvap 98.29 kPa 565.91 Calculated Property
Pvap 143.60 kPa 589.96 Calculated Property
Pvap 202.66 kPa 614.02 Calculated Property

Similar Compounds

Benzenamine, 4-methyl-3-nitro-. 1,3-Benzenediamine, 4-methyl-. 5-Methyl-2-nitroaniline. Benzenamine, 2-methyl-3,5-dinitro-. Benzene, 1-methyl-2,4-dinitro-. 3-NITRO-O-TOLUIDINE. 4-nitro-o-toluidine. 2-Methyl-6-nitroaniline. 3-Methyl-4-nitroaniline. Benzenamine, 4-methyl-2-nitro-. BENZENAMINE, 2-METHYL-. 4-METHYL-3,5-DINITROPHENYLAMINE. Benzenamine, 2,5-dimethyl-. Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-. 2,4-Dinitrobenzaldehyde.

Find more compounds similar to 2-Methyl-5-nitroaniline.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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