- InChI
- InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
- InChI Key
- JOFWLTCLBGQGBO-UHFFFAOYSA-N
- Formula
- C17H12Cl2N4
- SMILES
-
Cc1nnc2n1-c1ccc(Cl)cc1C(c1cccc
c1Cl)=NC2 - Molecular Weight1
- 343.21
- CAS
- 28911-01-5
- Other Names
-
- 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-methyl-
- 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(o-chlorophenyl)-1-methyl-
- 8-Chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a]-[1,4]benzodiazepine (triazolam)
- 8-Chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
- 8-Chloro-6-(o-chlorophenyl)-1-methyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine
- Halcion
- Novodorm
- Songar
- U 33030
- U-33,030
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | [-4.09; -4.08] |
|
|
| log10WS | -4.08 | Aq. Sol... | |
| log10WS | -4.09 | Estimat... | |
| logPoct/wat | 4.234 | Crippen Calculated Property | |
| McVol | 232.650 | ml/mol | McGowan Calculated Property |
| Inp | [2992.00; 3187.00] |
|
|
| Inp | 3025.00 | NIST | |
| Inp | 2992.00 | NIST | |
| Inp | 3007.00 | NIST | |
| Inp | Outlier 3187.00 | NIST | |
| Inp | 3017.00 | NIST | |
| Inp | 3008.00 | NIST | |
| Inp | 3008.00 | NIST | |
| Inp | 3017.00 | NIST | |
| Inp | 3025.00 | NIST | |
| Inp | 3025.00 | NIST | |
| Inp | 3017.00 | NIST | |
| Inp | 3020.00 | NIST | |
| Inp | 3023.00 | NIST | |
| Inp | 3000.00 | NIST | |
| Inp | 3010.00 | NIST | |
| Inp | 3018.00 | NIST | |
| Inp | 3020.00 | NIST | |
| Inp | 3043.00 | NIST | |
| Inp | 3025.00 | NIST | |
| Tfus | 504.65 | K | Aq. Sol... |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 41.00 | kJ/mol | 514.50 | NIST |
Similar Compounds
Find more compounds similar to Triazolam.
Sources
- Crippen Method
- Aqueous Solubility Prediction Method
- Estimated Solubility 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.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.