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18163-47-8

Basic Information
CAS No.: 18163-47-8
Name: 1-IODO-2-(TRIMETHYLSILYL)ACETYLENE 97
Article Data: 18
Molecular Structure:
Molecular Structure of 18163-47-8 (1-IODO-2-(TRIMETHYLSILYL)ACETYLENE  97)
Formula: C5H9ISi
Molecular Weight: 224.116
Synonyms: Silane,(iodoethynyl)trimethyl- (7CI,8CI,9CI);(Iodoethynyl)trimethylsilane;1-Iodo-2-(trimethylsilyl)acetylene;1-Iodo-2-(trimethylsilyl)ethyne;Iodo(trimethylsilyl)acetylene;
Density: 1.504 g/cm3
Boiling Point: 156.4 °C at 760 mmHg
Flash Point: 48.4 °C
Hazard Symbols: HarmfulXn
Risk Codes: 10-20/21/22-42/43-63
Safety: 16-23-36/37/39-45
PSA: 0.00000
LogP: 2.25970
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Specification

The 1-Iodo-2-(trimethylsilyl)acetylene is an organic compound with the formula C5H9ISi. The IUPAC name of this chemical is 2-iodoethynyl(trimethyl)silane. With the CAS registry number 18163-47-8, it is also named as Silane, (iodomethyl)trimethyl-. The product's categories are Alkynyl; Halogenated Hydrocarbons; Organic Building Blocks. Besides, it is , which should be stored in a cold, closed place at temperature of 2 - 8 °C.

Physical properties about 1-Iodo-2-(trimethylsilyl)acetylene are: (1)ACD/LogP: 4.37; (2)ACD/LogD (pH 5.5): 4.37; (3)ACD/LogD (pH 7.4): 4.37; (4)ACD/BCF (pH 5.5): 1223.06; (5)ACD/BCF (pH 7.4): 1223.06; (6)ACD/KOC (pH 5.5): 5644.09; (7)ACD/KOC (pH 7.4): 5644.09; (8)Index of Refraction: 1.514; (9)Molar Refractivity: 44.9 cm3; (10)Molar Volume: 148.9 cm3; (11)Polarizability: 17.8×10-24cm3; (12)Surface Tension: 27.9 dyne/cm; (13)Density: 1.504 g/cm3; (14)Flash Point: 48.4 °C; (15)Enthalpy of Vaporization: 37.69 kJ/mol; (16)Boiling Point: 156.4 °C at 760 mmHg; (17)Vapour Pressure: 3.73 mmHg at 25°C.

Preparation: this chemical can be prepared by ethynyl-trimethyl-silane. This reaction will need reagent AgNO3, N-iodosuccinimide and solvent tetrahydrofuran. The reaction time is 2 hours. The yield is about 89%.



Uses of 1-Iodo-2-(trimethylsilyl)acetylene: it can be used to produce 1-Trimethylsilyl-2-methyl-hexa-3,5-diin-2-ol at ambient temperature. It will need reagent Et3N, catalyst Pd(OAc)2, TPPTS and solvent acetonitrile, H2O with reaction time of 30 min. The yield is about 57%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical may cause sensitisation by inhalation and skin contact and possible risk of harm to the unborn child. When you are using it, wear suitable gloves and eye/face protection, keep away from sources of ignition - No smoking and do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: IC#C[Si](C)(C)C
(2)InChI: InChI=1/C5H9ISi/c1-7(2,3)5-4-6/h1-3H3
(3)InChIKey: HNIRHTRSZDSMOF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C5H9ISi/c1-7(2,3)5-4-6/h1-3H3
(5)Std. InChIKey: HNIRHTRSZDSMOF-UHFFFAOYSA-N