CAS No.24155-42-8,1H-Imidazole-1-ethanol,a-(2,4-dichlorophenyl)- Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	24155-42-8
Name:	1H-Imidazole-1-ethanol,a-(2,4-dichlorophenyl)-
Article Data:	27
Cas Database

Formula:	C₁₁H₁₀Cl₂N₂O
Molecular Weight:	257.119
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;
EINECS:	246-042-5
Density:	1.39 g/cm³
Melting Point:	134-138 °C
Boiling Point:	468.5 °C at 760 mmHg
Flash Point:	237.1 °C
Solubility:	water: 1300 g/L (20 °C )
Appearance:	White to light pink crystal
Hazard Symbols:	Xn,Xi
Risk Codes:	22-36/37/38
Safety:	38-28B-36-26
Transport Information:	N/A
PSA:	38.05000
LogP:	2.92350

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

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

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

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

Conditions	Yield
In acetonitrile Reflux;	68%

: 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-ethanone nitrate

: 24155-42-8
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol

Conditions

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

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

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

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

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

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

Raw Materials

288-32-4

874-42-0

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Chemistry

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

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.

Safety Profile

Hazard Codes: Harmful 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

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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