- InChI
- InChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)
- InChI Key
- JPZOAVGMSDSWSW-UHFFFAOYSA-N
- Formula
- C4H3Cl2N3
- SMILES
- Nc1nc(Cl)cc(Cl)n1
- Molecular Weight1
- 164.00
- ω : Acentric Factor.
- 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).
- Ttriple : Triple Point Temperature (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 | 0.4867 | Relay (1.0) Calculated Property | |
| ΔfG° | 253.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 17.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.50 | kJ/mol | Solubility Measurement and Modeling of 2-Amino-4,6-dichoropyrimidine in Ten Pure Solvents and (Ethyl Acetate + Ethanol) Solvent Mixtures |
| ΔvapH° | 74.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.366 | Crippen Calculated Property | |
| McVol | 97.880 | ml/mol | McGowan Calculated Property |
| Pc | 4941.09 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 520.04 | K | Relay (1.0) Calculated Property |
| Tc | 783.60 | K | Relay (1.0) Calculated Property |
| Tfus | 446.04 | K | Relay (1.0) Calculated Property |
| Ttriple | 496.42 | K | Solubility Measurement and Modeling of 2-Amino-4,6-dichoropyrimidine in Ten Pure Solvents and (Ethyl Acetate + Ethanol) Solvent Mixtures |
| Vc | 0.354 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-amino-4,6-dichloropyrimidine.
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
- Solubility Measurement and Modeling of 2-Amino-4,6-dichoropyrimidine in Ten Pure Solvents and (Ethyl Acetate + Ethanol) Solvent Mixtures
- McGowan Method
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