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1H-Imidazole,1-methyl-5-[2-(trimethylsilyl)ethynyl]-

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Name

1H-Imidazole,1-methyl-5-[2-(trimethylsilyl)ethynyl]-

EINECS N/A
CAS No. 480439-45-0 Density 0.89 g/cm3
PSA 17.82000 LogP 1.64900
Solubility N/A Melting Point 55-59 °C(lit.)
Formula C9H14N2Si Boiling Point 264.2 °C at 760 mmHg
Molecular Weight 178.309 Flash Point 113.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 480439-45-0 (5-((TRIMETHYLSILYL)ETHYNYL)-1-) Hazard Symbols IrritantXi
Synonyms

1-Methyl-5-[(trimethylsilyl)ethynyl]-1H-imidazole;

Article Data 2

1H-Imidazole,1-methyl-5-[2-(trimethylsilyl)ethynyl]- Specification

The 1H-Imidazole,1-methyl-5-[2-(trimethylsilyl)ethynyl]-, with the CAS registry number 480439-45-0, is also known as 1-Methyl-5-[(trimethylsilyl)ethynyl]-1H-imidazole. It belongs to the product categories of Imidazol & Benzimidazole; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Imidazoles. This chemical's molecular formula is C9H14N2Si and molecular weight is 178.3064.

Physical properties about 1H-Imidazole,1-methyl-5-[2-(trimethylsilyl)ethynyl]- are: (1)ACD/LogP: 2.03; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 9.95; (7)ACD/KOC (pH 5.5): 4.49; (8)ACD/KOC (pH 7.4): 146.99; (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: 1.48; (14)Molar Refractivity: 56.88 cm3; (15)Molar Volume: 200 cm3; (16)Polarizability: 22.54×10-24 cm3; (17)Surface Tension: 24.4 dyne/cm; (18)Density: 0.89 g/cm3; (19)Flash Point: 113.6 °C; (20)Enthalpy of Vaporization: 48.18 kJ/mol ; (21)Boiling Point: 264.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0161 mmHg at 25 °C; (23)Melting Point: 55-59 °C(lit.).

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1) SMILES: C(#Cc1cncn1C)[Si](C)(C)C
(2) InChI: InChI=1/C9H14N2Si/c1-11-8-10-7-9(11)5-6-12(2,3)4/h7-8H,1-4H3
(3) InChIKey: ZNCKMUMVQDCZBO-UHFFFAOYAZ

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