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1-Trimethylsilyl-1-hexyne

  • Name 1-Trimethylsilyl-1-hexyne
  • EINECSN/A
  • CAS No. 3844-94-8
  • Density0.787 g/cm3
  • PSA0.00000
  • LogP3.05740
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC9H18Si
  • Boiling Point153.6 °C at 760 mmHg
  • Molecular Weight154.327
  • Flash Point37.2 °C
  • Transport InformationUN 1993 3/PG 3
  • AppearanceN/A
  • Safety26-36
  • Risk Codes10-36/37/38
  • Molecular Structure
    Molecular Structure of 3844-94-8 (1-Trimethylsilyl-1-hexyne)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data48

1-Trimethylsilyl-1-hexyne Specification

The 1-Trimethylsilyl-1-hexyne with the cas number 3844-94-8 is also called Silane,1-hexyn-1-yltrimethyl-. The IUPAC name is hex-1-ynyl(trimethyl)silane. Its molecular formula is C9H18Si. This chemical belongs to the following product categories: (1)Alkynes; (2)Internal; (3)Organic Building Blocks.

The properties of the chemical are: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.3; (4)ACD/LogD (pH 7.4): 4.3; (5)ACD/BCF (pH 5.5): 1082.77; (6)ACD/BCF (pH 7.4): 1082.77; (7)ACD/KOC (pH 5.5): 5172.75; (8)ACD/KOC (pH 7.4): 5172.75; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 50.46 cm3; (15)Molar Volume: 196.1 cm3; (16)Polarizability: 20×10-24cm3; (17)Surface Tension: 22.5 dyne/cm; (18)Enthalpy of Vaporization: 37.43 kJ/mol; (19)Vapour Pressure: 4.25 mmHg at 25°C.

Uses: This chemical can react with acetyl chloride to oct-3-yn-2-one. This reaction needs reagent AlCl3 and solvent CS2.

While using this chemical, you should be very cautious. This chemical is flammable. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#C[Si](C)(C)C)CCCC
(2)InChI: InChI=1/C9H18Si/c1-5-6-7-8-9-10(2,3)4/h5-7H2,1-4H3
(3)InChIKey: SFCRJYVNDZSYCT-UHFFFAOYAJ

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