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25371-93-1

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Basic Information
CAS No.: 25371-93-1
Name: 1-O-TOLYL-1H-IMIDAZOLE
Article Data: 72
Molecular Structure:
Molecular Structure of 25371-93-1 (1-O-TOLYL-1H-IMIDAZOLE)
Formula: C10H10N2
Molecular Weight: 158.203
Synonyms: Imidazole,1-o-tolyl- (8CI);1-(o-Tolyl)imidazole;N-(2-Methylphenyl)imidazole;1-(2-Methylphenyl)-1H-imidazole;
Density: 1.04 g/cm3
Melting Point: 65-68 °C
Boiling Point: 295 °C at 760 mmHg
Flash Point: 132.2 °C
PSA: 17.82000
LogP: 2.18070
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Specification

The 1H-Imidazole,1-(2-methylphenyl)-, with the CAS registry number 25371-93-1, is also known as 1-(2-Methylphenyl)-1H-imidazole. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C10H10N2 and molecular weight is 158.2. What's more, its IUPAC name is 1-(2-methylphenyl)imidazole.

Physical properties of 1H-Imidazole,1-(2-methylphenyl)- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 11.53; (6)ACD/BCF (pH 7.4): 40.75; (7)ACD/KOC (pH 5.5): 138.61; (8)ACD/KOC (pH 7.4): 489.8; (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: 1.581; (14)Molar Refractivity: 50.35 cm3; (15)Molar Volume: 151 cm3; (16)Polarizability: 19.96×10-24cm3; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 132.2 °C; (20)Enthalpy of Vaporization: 51.33 kJ/mol; (21)Boiling Point: 295 °C at 760 mmHg; (22)Vapour Pressure: 0.00275 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1N2C=CN=C2
(2)InChI: InChI=1S/C10H10N2/c1-9-4-2-3-5-10(9)12-7-6-11-8-12/h2-8H,1H3
(3)InChIKey: TWCVCECJVZOZRM-UHFFFAOYSA-N