- InChI
- InChI=1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2
- InChI Key
- HVHNMNGARPCGGD-UHFFFAOYSA-N
- Formula
- C6H7N3O2
- SMILES
- Nc1ccc(N)c([N+](=O)[O-])c1
- Molecular Weight1
- 153.14
- CAS
- 5307-14-2
- Other Names
-
- 1,4-Diamino-2-nitrobenzene
- 2,5-Diaminonitrobenzene
- 2-N-p-PDA
- 2-NPPD
- 2-Nitro-1,4-diaminobenzene
- 2-Nitro-1,4-phenylenediamine
- 2-Nitrol-p-phenylenediamine
- 2-nitro-1,4-benzenediamine
- 2-nitro-4-aminoaniline
- 2-nitro-p-phenylenediamine
- 2-nitro-para-phenylenediamine
- 2-nitrobenzene-1,4-diamine
- 2NDB
- 4-Amino-2-nitroaniline
- C.I. 76070
- C.I. Oxidation Base 22
- Durafur Brown
- Durafur Brown 2R
- Dye GS
- Fouramine 2R
- Fourrine 36
- Fourrine Brown 2R
- NCI-C02222
- NSC 5377
- Nitro-p-phenylenediamine
- Oxidation base 22
- Ursol Brown RR
- Zoba Brown RR
- o-Nitro-p-phenylenediamine
- p-Phenylenediamine, 2-nitro-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6698 | Relay (1.0) Calculated Property | |
| ΔfG° | 261.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 84.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.759 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Pc | 5351.35 | kPa | Joback Calculated Property |
| Tboil | 591.21 | K | Relay (1.0) Calculated Property |
| Tc | 871.32 | K | Relay (1.0) Calculated Property |
| Tfus | 411.35 | K | Solubility of 2-nitro-p-phenylenediamine in nine pure solvents and mixture of (methanol + N-methyl-2-pyrrolidone) from T = (283.15 to 318.15) K: Determination and modelling |
| Vc | 0.368 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.57; 315.86] | J/mol×K | [670.22; 940.43] | 
|
| Cp,gas | 271.57 | J/mol×K | 670.22 | Joback Calculated Property |
| Cp,gas | 280.82 | J/mol×K | 715.26 | Joback Calculated Property |
| Cp,gas | 289.27 | J/mol×K | 760.29 | Joback Calculated Property |
| Cp,gas | 296.95 | J/mol×K | 805.33 | Joback Calculated Property |
| Cp,gas | 303.92 | J/mol×K | 850.36 | Joback Calculated Property |
| Cp,gas | 310.21 | J/mol×K | 895.40 | Joback Calculated Property |
| Cp,gas | 315.86 | J/mol×K | 940.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenediamine, 2-nitro-.
Mixtures
- 1,4-Benzenediamine, 2-nitro- + Methyl Alcohol
- Ethanol + 1,4-Benzenediamine, 2-nitro-
- 1-Propanol + 1,4-Benzenediamine, 2-nitro-
- Acetonitrile + 1,4-Benzenediamine, 2-nitro-
- 1,4-Benzenediamine, 2-nitro- + Ethyl Acetate
- Toluene + 1,4-Benzenediamine, 2-nitro-
- 1,4-Benzenediamine, 2-nitro- + 1,4-Dioxane
- Isopropyl Alcohol + 1,4-Benzenediamine, 2-nitro-
- 2-Pyrrolidinone, 1-methyl- + 1,4-Benzenediamine, 2-nitro- + Methyl Alcohol
- Isopropyl Alcohol + 1,4-Benzenediamine, 2-nitro- + Ethyl Acetate
- 2-Pyrrolidinone, 1-methyl- + 1,4-Benzenediamine, 2-nitro-
- 2-Pyrrolidinone, 1-methyl- + 1,4-Benzenediamine, 2-nitro-
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solubility of 2-nitro-p-phenylenediamine in nine pure solvents and mixture of (methanol + N-methyl-2-pyrrolidone) from T = (283.15 to 318.15) K: Determination and modelling
- Experiment and Application of the Solid-Liquid Phase Equilibrium for Ternary 2-Nitro-p-phenylenediamine + Ethyl Acetate + Isopropanol and 2-Nitro-p-phenylenediamine + 4-Nitro-o-phenylenediamine + N-Methyl-2-pyrrolidone systems
- Joback Method
- McGowan Method
- NIST Webbook
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