1H-Imidazole,5-(4-methylphenyl)- supplier

Name
4-(4-METHYLPHENYL)IMIDAZOLE
EINECS
CAS No. 670-91-7
Article Data5
CAS DataBase
Density 1.109 g/cm³
Solubility
Melting Point 98-102°C
Formula C₁₀H₁₀N₂
Boiling Point 379.9 °C at 760 mmHg
Molecular Weight 158.203
Flash Point 206.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Imidazole,4-(4-methylphenyl)- (9CI);Imidazole, 4(or 5)-p-tolyl- (7CI);Imidazole,4-p-tolyl- (8CI);4-(p-Methylphenyl)imidazole;4-(p-Tolyl)-1,3-imidazole;4-p-Tolyl-1H-imidazole;4-p-Tolylimidazole;5-p-Tolylimidazole;
PSA 28.68000
LogP 2.38510

1H-Imidazole,5-(4-methylphenyl)- Specification

The 1H-Imidazole,5-(4-methylphenyl)-, with the CAS registry number 670-91-7, is also known as 5-p-Tolylimidazole. This chemical's molecular formula is C₁₀H₁₀N₂ and molecular weight is 158.1998. What's more, its IUPAC name and systematic name are the same which is called 5-(4-Methylphenyl)-1H-imidazole.

Physical properties about 1H-Imidazole,5-(4-methylphenyl)-: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 1.58; (6)ACD/BCF (pH 7.4): 15.05; (7)ACD/KOC (pH 5.5): 24.58; (8)ACD/KOC (pH 7.4): 234.28; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 48.19 cm³; (15)Molar Volume: 142.5 cm³; (16)Surface Tension: 46.4 dyne/cm; (17)Density: 1.109 g/cm³; (18)Flash Point: 206.8 °C; (19)Enthalpy of Vaporization: 60.34 kJ/mol; (20)Boiling Point: 379.9 °C at 760 mmHg; (21)Vapour Pressure: 1.24E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2cc(c1ccc(cc1)C)nc2
(2) InChI: InChI=1/C10H10N2/c1-8-2-4-9(5-3-8)10-6-11-7-12-10/h2-7H,1H3,(H,11,12)
(3) InChIKey: CYGFZUOECZAJFD-UHFFFAOYAP

Product Name

4-(4-METHYLPHENYL)IMIDAZOLE

1H-Imidazole,5-(4-methylphenyl)- Specification

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