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| CAS No.: | 28241-06-7 |
|---|---|
| Name: | 5-[(4-chlorophenyl)(4,5-dihydro-1H-imidazol-2-yl)methyl]pyridin-2(1H)-one (2E)-but-2-enedioate |
| Molecular Structure: | |
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| Formula: | C15H14ClN3O•7C4H4O4 |
| Molecular Weight: | 1100.33 |
| Boiling Point: | 599.5°C at 760 mmHg |
| Flash Point: | 316.3°C |
| Safety: | Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl− and NOx. |
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Chemistry
Sch 12650 with CAS register number of 28241-06-7 is called as CID6444885 ; LS-131693 ; alpha-(p-Chlorophenyl)-alpha-2-imidazolin-2-yl-2-pyridinemethanol maleate ; Maleate de 2-((p-chlorophenyl)-2-(pyridyl)hydroxy methyl)imidazoline [French] ; 2-Pyridinemethanol, alpha-(p-chlorophenyl)-alpha-2-imidazolin-2-yl, maleate (salt) ; Maleate de 2-((p-chlorophenyl)-2-(pyridyl)hydroxy methyl)imidazoline ,and so on.
IUPAC Name: (E)-but-2-enedioic acid ; 5-[(4-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methyl]-1H-pyridin-2-one
CAS: 28241-06-7
Molecualr formula: C19H18ClN3O5
Molecular weight: 403.8163
Molecular structure: 
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 0.15
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 3.52
ACD/KOC (pH 7.4): 4.22
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 3
lash Point: 316.3 °C
Enthalpy of Vaporization: 89.25 kJ/mol
Boiling Point: 599.5 °C at 760 mmHg
Vapour Pressure: 2.49E-14 mmHg at 25°C
Uses
Sch 12650 (CAS No.28241-06-7) is commonly used as chemical reagent.
Toxicity Data With Reference
| 1. | orl-mus LD50:285 mg/kg | THERAP Therapie. 26 (1971),805. | ||
| 2. | ipr-mus LD50:149 mg/kg | THERAP Therapie. 26 (1971),805. | ||
| 3. | ivn-mus LD50:45 mg/kg | THERAP Therapie. 26 (1971),805. |
Safety Profile
Sch 12650 (CAS No.28241-06-7) is poisonous by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl− and NOx.