CAS No.46227-74-1,2-ETHYL-4-METHYLIMIDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	46227-74-1
Name:	2-ETHYL-4-METHYLIMIDAZOLE

Formula:	C₆H₁₀N₂
Molecular Weight:	110.16
Synonyms:	2-Ethyl-5-methyl-1H-imidazole;
EINECS:	213-234-5
Density:	1 g/cm³
Melting Point:	47-54 °C (lit.)
Boiling Point:	276 °C at 760 mmHg
Flash Point:	137.8 °C
Hazard Symbols:	Xn
Risk Codes:	22-41
Safety:	26-39
PSA:	28.68000
LogP:	1.28050

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Specification

The 1H-Imidazole, 2-ethyl-5-methyl-, with the CAS registry number of 46227-74-1, is also known as 2-Ethyl-4-methylimidazole. Its EINECS registry number is 213-234-5. This chemical's molecular formula is C₆H₁₀N₂ and molecular weight is 110.16. What's more, its systematic name is called 2-Ethyl-5-methyl-1H-imidazole.

Physical properties about 1H-Imidazole, 2-ethyl-5-methyl- are: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.8; (4)ACD/LogD (pH 7.4): -0.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 7.4): 2.5; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.82 Å²; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 33.15 cm³; (14)Molar Volume: 110 cm³; (15)Surface Tension: 39.1 dyne/cm; (16)Density: 1 g/cm³; (17)Flash Point: 137.8 °C; (18)Enthalpy of Vaporization: 49.38 kJ/mol; (19)Boiling Point: 276 °C at 760 mmHg; (20)Vapour Pressure: 0.00827 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful if swallowed. In addition, this chemical has risk of serious damage to eyes. During using it, wear eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: n1cc(nc1CC)C
(2) InChI: InChI=1/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
(3) InChIKey: ULKLGIFJWFIQFF-UHFFFAOYAC