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10041-06-2

Basic Information
CAS No.: 10041-06-2
Name: 4'-(IMIDAZOL-1-YL)ACETOPHENONE
Article Data: 97
Molecular Structure:
Molecular Structure of 10041-06-2 (4'-(IMIDAZOL-1-YL)ACETOPHENONE)
Formula: C11H10N2O
Molecular Weight: 186.213
Synonyms: Acetophenone,4'-imidazol-1-yl- (7CI,8CI);1-[4-(1-Imidazolyl)phenyl]ethan-1-one;1-[4-(1H-Imidazol-1-yl)phenyl]ethanone;4-(1H-Imidazol-1-yl)acetophenone;4'-Imidazolylacetophenone;N-(4-Acetylphenyl)imidazole;Ro 22-3581;p-Imidazol-1-ylacetophenone;
EINECS: 233-123-5
Density: 1.132 g/cm3
Melting Point: 108-110 °C(lit.)
Boiling Point: 360.873 °C at 760 mmHg
Flash Point: 172.05 °C
Appearance: white to yellow powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 22-36/37/38
Safety: 26-36/37/39-22
PSA: 34.89000
LogP: 2.07490
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  • 1-(4-Acetylphenyl)imidazole

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    10041-06-2

    1-(4-Acetylphenyl)imidazole

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    High quality Products with prompt deliveryAppearance:Solid Package:based on customer requirement Application:organic intermediates Port:any port of China

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  • 4'-(imidazol-1-yl)methyl phenyl ketone

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    10041-06-2

    4'-(imidazol-1-yl)methyl phenyl ketone

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  • 4'-(1-Imidazolyl)acetophenone

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    4'-(1-Imidazolyl)acetophenone

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    4-(Imidazol-1-yl)acetophenone

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  • 4'-(IMIDAZOL-1-YL)ACETOPHENONE

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    10041-06-2

    4'-(IMIDAZOL-1-YL)ACETOPHENONE

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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Specification

The 4'-(1-Imidazolyl)acetophenone, with the CAS registry number 10041-06-2 and EINECS registry number 233-123-5, has the systematic name of 1-[4-(1H-imidazol-1-yl)phenyl]ethanone. It belongs to the following product categories: Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Imidazoles. And the molecular formula of the chemical is C11H10N2O.

The characteristics of 4'-(1-Imidazolyl)acetophenone are as followings: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 5.13; (6)ACD/BCF (pH 7.4): 7.11; (7)ACD/KOC (pH 5.5): 102.13; (8)ACD/KOC (pH 7.4): 141.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 55.81 cm3; (15)Molar Volume: 164.5 cm3; (16)Polarizability: 22.12×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 172.1 °C; (20)Enthalpy of Vaporization: 60.66 kJ/mol; (21)Boiling Point: 360.9 °C at 760 mmHg; (22)Vapour Pressure: 2.15E-05 mmHg at 25°C.

Preparation of 4'-(1-Imidazolyl)acetophenone: This chemical can be prepared by1H-imidazole and 1-(4-chloro-phenyl)-ethanone. The reaction will need reagent K2CO3, and the menstruum dimethylsulfoxide. The reaction time is 7 minutes with temperature of 20-180°C, and the yield is about 91%. 

Uses of 4'-(1-Imidazolyl)acetophenone: It can react with 2,4-dichloro-benzaldehyde to produce 2,4-dichloro-4'-imidazol-1-ylchalcone. This reaction will need reagent NaOH, and the menstruum methanol. And the yield is about 64%.  

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(cc1)n2ccnc2)C
(2)InChI: InChI=1/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3
(3)InChIKey: GAIQQJIMVVUTQN-UHFFFAOYAW