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480439-45-0

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Basic Information
CAS No.: 480439-45-0
Name: 5-((TRIMETHYLSILYL)ETHYNYL)-1-
Article Data: 2
Molecular Structure:
Molecular Structure of 480439-45-0 (5-((TRIMETHYLSILYL)ETHYNYL)-1-)
Formula: C9H14N2Si
Molecular Weight: 178.309
Synonyms: 1-Methyl-5-[(trimethylsilyl)ethynyl]-1H-imidazole;
Density: 0.89 g/cm3
Melting Point: 55-59 °C(lit.)
Boiling Point: 264.2 °C at 760 mmHg
Flash Point: 113.6 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 17.82000
LogP: 1.64900
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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