- InChI
- InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
- InChI Key
- DGBIGWXXNGSACT-UHFFFAOYSA-N
- Formula
- C15H10ClN3O3
- SMILES
-
O=C1CN=C(c2ccccc2Cl)c2cc([N+](
=O)[O-])ccc2N1 - Molecular Weight1
- 315.71
- CAS
- 1622-61-3
- Other Names
-
- 1,3-Dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benzodiazepin-2-one
- 2H-1,4-Benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-7-nitro-
- 2H-1,4-Benzodiazepin-2-one, 5-(o-chlorophenyl)-1,3-dihydro-7-nitro-
- 5-(2-Chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one
- 5-(o-Chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one
- 7-Nitro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2(1H)-one
- Antelepsin
- Chlonazepam
- Cloazepam
- Clonex
- Clonopin
- Iktorivil
- Kenoket
- Klonopin
- Landsen
- Lonazep
- NSC 179913
- Paxam
- Rivotril
- Ro 4-8180
- Ro 5-4023
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 441.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 157.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.23 | kJ/mol | Joback Calculated Property |
| log10WS | [-3.82; -3.50] |
|
|
| log10WS | -3.82 | Aq. Sol... | |
| log10WS | -3.50 | Estimat... | |
| logPoct/wat | 3.038 | Crippen Calculated Property | |
| McVol | 210.720 | ml/mol | McGowan Calculated Property |
| Pc | 3188.33 | kPa | Joback Calculated Property |
| Inp | [2803.00; 2934.60] |
|
|
| Inp | 2833.00 | NIST | |
| Inp | 2806.00 | NIST | |
| Inp | 2832.00 | NIST | |
| Inp | 2856.00 | NIST | |
| Inp | 2878.00 | NIST | |
| Inp | 2813.00 | NIST | |
| Inp | Outlier 2934.60 | NIST | |
| Inp | 2803.00 | NIST | |
| Inp | 2860.00 | NIST | |
| Inp | 2879.00 | NIST | |
| Inp | 2885.00 | NIST | |
| Inp | 2833.00 | NIST | |
| Inp | 2860.00 | NIST | |
| Inp | 2885.00 | NIST | |
| Inp | 2814.00 | NIST | |
| Inp | 2885.00 | NIST | |
| Inp | 2833.00 | NIST | |
| Inp | Outlier 2934.60 | NIST | |
| Tboil | 994.33 | K | Joback Calculated Property |
| Tc | 1297.93 | K | Joback Calculated Property |
| Tfus | 510.65 | K | Aq. Sol... |
| Vc | 0.811 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.78; 647.30] | J/mol×K | [994.33; 1297.93] |
|
| Cp,gas | 627.78 | J/mol×K | 994.33 | Joback Calculated Property |
| Cp,gas | 636.00 | J/mol×K | 1044.93 | Joback Calculated Property |
| Cp,gas | 641.99 | J/mol×K | 1095.53 | Joback Calculated Property |
| Cp,gas | 645.75 | J/mol×K | 1146.13 | Joback Calculated Property |
| Cp,gas | 647.30 | J/mol×K | 1196.73 | Joback Calculated Property |
| Cp,gas | 646.65 | J/mol×K | 1247.33 | Joback Calculated Property |
| Cp,gas | 643.80 | J/mol×K | 1297.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Clonazepam.
Mixtures
- Clonazepam + 2-Pyrrolidinone, 1-methyl-
- Propylene Glycol + Clonazepam
- Clonazepam + Ethanol
- Clonazepam + Water
- Clonazepam + Ethanol + Water
- Propylene Glycol + Clonazepam + Water
- Clonazepam + 2-Pyrrolidinone, 1-methyl- + Water
Sources
- Crippen Method
- Solubility of Clonazepam and Diazepam in Polyethylene Glycol 200, Propylene Glycol, N-Methyl Pyrrolidone, Ethanol, and Water at (298.2 to 318.2) K and in Binary and Ternary Mixtures of Polyethylene Glycol 200, Propylene Glycol, and Water at 298.2 K
- Solubility of Lamotrigine, Diazepam, and Clonazepam in Ethanol + Water Mixtures at 298.15 K
- Solubility of Lamotrigine, Diazepam, Clonazepam, and Phenobarbital in Propylene Glycol + Water Mixtures at 298.15 K
- Solubility of Clonazepam, Diazepam, Lamotrigine, and Phenobarbital in N-Methyl-2-pyrrolidone + Water Mixtures at 298.2 K
- Joback 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.