- InChI
- InChI=1S/C4H3Cl2N3/c5-3-2(7)4(6)9-1-8-3/h1H,7H2
- InChI Key
- NIGDWBHWHVHOAD-UHFFFAOYSA-N
- Formula
- C4H3Cl2N3
- SMILES
- Nc1c(Cl)ncnc1Cl
- Molecular Weight1
- 163.99
- CAS
- 5413-85-4
- Other Names
-
- 5-Pyrimidinamine, 4,6-dichloro-
- Pyrimidine, 5-amino-4,6-dichloro-
- 4,6-Dichloro-5-aminopyrimidine
- 4,6-Dichloro-5-pyrimidinamine
- 4,6-Dichloropyrimidin-5-ylamine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.4717 | Relay (1.0) Calculated Property | |
| ΔfG° | 235.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 97.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 60.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.366 | Crippen Calculated Property | |
| McVol | 97.880 | ml/mol | McGowan Calculated Property |
| Pc | 4939.63 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 521.89 | K | Relay (1.0) Calculated Property |
| Tc | 821.98 | K | Relay (1.0) Calculated Property |
| Tfus | 443.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.352 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-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
- McGowan Method
- NIST Webbook
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