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Cas Database |
| Name |
alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol |
EINECS | 246-042-5 |
| CAS No. | 24155-42-8 | Density | 1.39 g/cm3 |
| PSA | 38.05000 | LogP | 2.92350 |
| Solubility | water: 1300 g/L (20 °C ) | Melting Point |
134-138 °C |
| Formula | C11H10Cl2N2O | Boiling Point | 468.5 °C at 760 mmHg |
| Molecular Weight | 257.119 | Flash Point | 237.1 °C |
| Transport Information | N/A | Appearance | White to light pink crystal |
| Safety | 38-28B-36-26 | Risk Codes | 22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
Imidazole-1-ethanol,a-(2,4-dichlorophenyl)- (8CI);1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol;FI 7001;R 14821;T 824;UK11147;a-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol;Alpha-(2,4-dichlorophenyl)-1H-imidazole-1-ethanol; |
Article Data | 27 |
alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol Synthetic route
- 46503-52-0
1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanone
- 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In ethanol at 20℃; for 12h; | 98% |
| With potassium borohydride In methanol for 1h; Reflux; | 90.5% |
| With sodium tetrahydroborate In methanol for 2h; Reflux; | 88% |
- 288-32-4
1H-imidazole
- 13692-14-3
α-(chloromethyl)-2,4-dichlorobenzyl alcohol
- 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| With 1,1,1,3',3',3'-hexafluoro-propanol; alumina-supported potassium hydroxide at 45℃; for 3.5h; | 90% |
| With potassium carbonate; sodium iodide In water; butanone | 78.7% |
| With sodium In N-methyl-acetamide; methanol; water |
- 288-32-4
1H-imidazole
- 13692-15-4
2-(2,4-dichlorophenyl)oxirane
- 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| With pyridine In ethanol for 12h; Ring cleavage; Heating; | 63% |
| Stage #1: 1H-imidazole With sodium hydride In N,N-dimethyl-formamide at 20℃; Inert atmosphere; Stage #2: 2-(2,4-dichlorophenyl)oxirane In N,N-dimethyl-formamide at 60℃; Inert atmosphere; | 57% |
| Stage #1: 1H-imidazole With sodium hydride In N,N-dimethyl-formamide Inert atmosphere; Stage #2: 2-(2,4-dichlorophenyl)oxirane In N,N-dimethyl-formamide at 20℃; Inert atmosphere; |
- 67035-78-3
tetra-n-butylammonium imidazolate
- 13692-14-3
α-(chloromethyl)-2,4-dichlorobenzyl alcohol
- 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| In acetonitrile Reflux; | 68% |
- 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In methanol for 2h; | 95% |
- 67035-78-3
tetra-n-butylammonium imidazolate
- 53066-15-2
2-bromo-1-(2,4-dichlorophenyl)ethanol
- 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| In acetonitrile Reflux; | 40% |
- 4252-78-2
2,2',4'-trichloroacetophenone
- 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 28 percent / CH2Cl2 / 2 h / 40 °C 2: sodium borohydride View Scheme | |
| Multi-step reaction with 2 steps 1: sodium tetrahydroborate / isopropyl alcohol / 2 h / 3 - 20 °C 2: acetonitrile / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: dichloromethane 2: potassium borohydride / methanol / 1 h / Reflux View Scheme |
- 2631-72-3
2,4-dichlorophenacyl bromide
- 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium tetrahydroborate / isopropyl alcohol / 2 h / 3 - 20 °C 2: acetonitrile / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide; water / 20 °C 2: sodium tetrahydroborate / methanol / 2 h / 5 - 50 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 2 steps 1: potassium carbonate / 20 °C 2: sodium tetrahydroborate / methanol / 2 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: potassium carbonate / tetrahydrofuran / 3 h / 20 °C 2: sodium tetrahydroborate / methanol / 3 h / 0 °C / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 20 °C 2: sodium tetrahydroborate; methanol / 2 h / 0 °C / Reflux View Scheme |
- 541-73-1
1,3-Dichlorobenzene
- 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: aluminum (III) chloride / 3 h / 30 °C 2.1: triethylamine / methanol / 20 °C 2.2: 4 h / 65 °C 3.1: sodium tetrahydroborate / ethanol / 12 h / 20 °C View Scheme | |
| Multi-step reaction with 3 steps 1: aluminum (III) chloride 2: triethylamine / methanol / 65 °C 3: sodium tetrahydroborate / ethanol / 20 °C View Scheme |
- 2234-16-4
1-(2,4-dichlorophenyl)ethan-1-one
- 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: bromine / chloroform / 1.5 h / 0 - 20 °C 2: potassium carbonate / 20 °C 3: sodium tetrahydroborate / methanol / 2 h / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1: bromine / chloroform / 1 h / 0 - 20 °C 2: potassium carbonate / tetrahydrofuran / 3 h / 20 °C 3: sodium tetrahydroborate / methanol / 3 h / 0 °C / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1: bromine / chloroform / 1 h / 0 - 20 °C 2: potassium carbonate / N,N-dimethyl-formamide / 20 °C 3: sodium tetrahydroborate; methanol / 2 h / 0 °C / Reflux View Scheme |
alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol Chemical Properties
IUPAC Name: 1-(2,4-Dichlorophenyl)-2-imidazol-1-ylethanol
Synonyms of alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol (CAS NO.24155-42-8): Benzyl alcohol, 2,4-dichloro-alpha-(1-imidazolylmethyl)- ; N-(beta-(2,4-Dichlorophenyl)-beta-hydroxyethyl)imidazole ; 1H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)- (9CI) ; Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-
CAS NO: 24155-42-8
Molecular Formula: C11H10Cl2N2O
Molecular Weight: 257.12
Molecular Structure: 
EINECS: 246-042-5
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 27.05 Å2
Index of Refraction: 1.626
Molar Refractivity: 65.2 cm3
Molar Volume: 184 cm3
Surface Tension: 48.8 dyne/cm
Density: 1.39 g/cm3
Flash Point: 237.1 °C
Enthalpy of Vaporization: 76.98 kJ/mol
Boiling Point: 468.5 °C at 760 mmHg
Vapour Pressure: 1.41E-09 mmHg at 25°C
Melting Point: 134-138 °C
Water Solubility 1300 g/L (20 ºC)
Appearance: alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol (CAS NO.24155-42-8) is cream-coloured to beige powder.
SMILES: Clc1ccc(c(Cl)c1)C(O)Cn2ccnc2
InChI: InChI=1/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2
InChIKey: UKVLTPAGJIYSGN-UHFFFAOYAR
Std. InChI: InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2
Std. InChIKey: UKVLTPAGJIYSGN-UHFFFAOYSA-N
Product Categories: Imidazol&Benzimidazole;Imidazoles
alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | BEHAVIORAL: ANTICONVULSANT | Journal of Medicinal Chemistry. Vol. 24, Pg. 727, 1981. |
alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol Safety Profile
Hazard Codes: 
Xn,Xi
Risk Statements: 22-36/37/38
R22: Harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 38-28-36-26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28: After contact with skin, wash immediately with plenty of soap-suds.
S36: Wear suitable protective clothing.
S38: In case of insufficient ventilation, wear suitable respiratory equipment.
RTECS: NI5485000
alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol (CAS NO.24155-42-8) in a cool, dry place. Store in a tightly closed container.
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