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7164-98-9

Basic Information
CAS No.: 7164-98-9
Name: 1-Phenylimidazole
Article Data: 244
Molecular Structure:
Molecular Structure of 7164-98-9 (1-Phenylimidazole)
Formula: C9H8N2
Molecular Weight: 144.176
Synonyms: N-Phenylimidazole;Phenylimidazole;
Density: 1.06 g/cm3
Melting Point: 13 °C(lit.)
Boiling Point: 276 °C at 760 mmHg
Flash Point: 120.7 °C
Solubility: Slightly soluble in water.
Appearance: clear light yellow to yellow liquid
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 26-37/39
PSA: 17.82000
LogP: 1.87230
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  • 1-Phenylimidazole

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    7164-98-9

    1-Phenylimidazole

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  • 1-Phenylimidazole  CAS NO.7164-98-9

  • Casno:

    7164-98-9

    1-Phenylimidazole CAS NO.7164-98-9

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  • 1-Phenylimidazole

  • Casno:

    7164-98-9

    1-Phenylimidazole

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Specification

The 1-Phenylimidazole, with the CAS registry number of 7164-98-9, is also known as N-Phenylimidazole. It belongs to the product categories of Heterocyclic Compounds; Imidazoles & Benzimidazoles; Building Blocks; Heterocyclic Building Blocks; Imidazoles. This chemical's molecular formula is C9H8N2 and molecular weight is 144.17. What's more, its IUPAC name is 1-Phenylimidazole.

Physical properties about the 1-Phenylimidazole are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 5.29; (6)ACD/BCF (pH 7.4): 18.24; (7)ACD/KOC (pH 5.5): 79.97; (8)ACD/KOC (pH 7.4): 275.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 45.93 cm3; (15)Molar Volume: 135.7 cm3; (16)Surface Tension: 42.2 dyne/cm; (17)Density: 1.06 g/cm3; (18)Flash Point: 120.7 °C; (19)Enthalpy of Vaporization: 49.38 kJ/mol; (20)Boiling Point: 276 °C at 760 mmHg; (21)Vapour Pressure: 0.00829 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 1H-Imidazole with Triphenyl bismuth diacetate. The reaction needs reagent Cu(OAc)2 and solvent Tetrahydrofuran. The reaction time is 6 hours with reaction temperature of 50 °C. The yield is about 87 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-Phenylimidazolium-3-dicyanomethylide.This reaction needs solvent Ethyl acetate. Other condition of this reaction is reaction time of 5 minutes at 0 °C. The yield is about 74 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. This chemical is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES:n2ccn(c1ccccc1)c2
(2) InChI:InChI=1/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
(3) InChIKey:SEULWJSKCVACTH-UHFFFAOYAU