- InChI
- InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
- InChI Key
- PBGKNXWGYQPUJK-UHFFFAOYSA-N
- Formula
- C6H5ClN2O2
- SMILES
- Nc1ccc(Cl)cc1[N+](=O)[O-]
- Molecular Weight1
- 172.57
- Other Names
-
- 2-Nitro-4-chloroaniline
- 4-Chloro-2-nitroaniline
- 4-Chloro-2-nitrobenzenamine
- Aniline, 4-chloro-2-nitro-
- Azoene Fast Red 3GL Base
- Azoene Fast Red 3GL Salt
- Azofix Red 3GL Salt
- Azoic diazo component 9, base
- C.I. 37040
- C.I. Azoic Diazo Component 9
- Daito Red Base 3GL
- Daito Red Salt 3GL
- Devol Red F
- Devol Red Salt F
- Diazo Fast Red 3GL
- Fast Red 2NC Base
- Fast Red 2NC Salt
- Fast Red 3GL Base
- Fast Red 3GL Salt
- Fast Red 3GL Special Base
- Fast Red 3GL Special Salt
- Fast Red Base 3GL Special
- Fast Red Base 3JL
- Fast Red Salt 3GL
- Fast Red Salt 3JL
- Hiltonil Fast Red 3GL Base
- Hiltosal Fast Red 3GL Salt
- Kayaku Fast Red 3GL Base
- Kayaku Red Salt 3GL
- Mitsui Red 3GL Base
- Mitsui Red 3GL Salt
- NCI-C60355
- Naphthanil Red 3G Base
- Naphtoelan Fast Red 3GL Base
- Naphtoelan Fast Red 3GL Salt
- PCON
- PCONA
- Red 3G Base
- Red 3G Salt
- Red 3GS Salt
- Red Base 3GL
- Red Base Ciba VI
- Red Base Irga VI
- Red Salt Ciba VI
- Red Salt Irga VI
- Red Salt NBGL
- Sanyo Fast Red Salt 3GL
- Shinnippon Fast Red 3GL Base
- Symulon Red 3GL Salt
- p-Chloro-o-nitroaniline
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 37.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.830 | Crippen Calculated Property | |
| McVol | 111.280 | ml/mol | McGowan Calculated Property |
| Tboil | 566.85 | K | Relay (1.0) Calculated Property |
| Tfus | 407.63 | K | Relay (1.0) Calculated Property |
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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.99; 285.13] | J/mol×K | [635.32; 902.99] | 
|
| Cp,gas | 243.99 | J/mol×K | 635.32 | Joback Calculated Property |
| Cp,gas | 252.58 | J/mol×K | 679.93 | Joback Calculated Property |
| Cp,gas | 260.42 | J/mol×K | 724.54 | Joback Calculated Property |
| Cp,gas | 267.56 | J/mol×K | 769.15 | Joback Calculated Property |
| Cp,gas | 274.03 | J/mol×K | 813.77 | Joback Calculated Property |
| Cp,gas | 279.87 | J/mol×K | 858.38 | Joback Calculated Property |
| Cp,gas | 285.13 | J/mol×K | 902.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 4-chloro-2-nitro-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
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