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4440-01-1

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Basic Information
CAS No.: 4440-01-1
Name: LITHIUM PHENYLACETYLIDE
Article Data: 34
Molecular Structure:
Molecular Structure of 4440-01-1 (LITHIUM PHENYLACETYLIDE)
Formula: C8H5Li
Molecular Weight: 108.069
Synonyms: LITHIUM PHENYLACETYLIDE 1.0M SOLUTION IN TETRAHYDROFURAN;Lithium,(phenylethynyl)-;
Density: 0.91 g/mL at 25 °C
Flash Point: 1 °F
Hazard Symbols: FlammableF; CorrosiveC
Risk Codes: 11-14-19-20/21/22-34
Safety: 16-26-27-36/37/39-45
Transport Information: UN 3399
PSA: 0.00000
LogP: 1.54490
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Specification

The (Phenylethynyl)lithium, with CAS registry number 4440-01-1, has the systematic name of (phenylethynyl)lithium. Besides this, it is also called Lithium phenylacetylide. Its IUPAC name is lithium ethynylbenzene. And the chemical formula of this chemical is C8H5Li.

Physical properties of (Phenylethynyl)lithium: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 0 Å2.

Uses of (Phenylethynyl)lithium: it can be used to produce tetrakis-phenylethynyl-silane. This reaction will need reagent SiCl4.

Uses of (Phenylethynyl)lithium: it can be used to produce tetrakis-phenylethynyl-silane.

When you are using this chemical, please be cautious about it as the following:
The (Phenylethynyl)lithium irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Secondly, this chemical is highly flammable, and it may cause burns, so keep it away from sources of ignition. It may also react violently with water. And it may form explosive peroxides. After using it, take off immediately all contaminated clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: [Li]C#Cc1ccccc1
(2)InChI: InChI=1/C8H5.Li/c1-2-8-6-4-3-5-7-8;/h3-7H;/rC8H5Li/c9-7-6-8-4-2-1-3-5-8/h1-5H
(3)InChIKey: QQONVLVTCMNCTJ-OQTGVGSFAI
(4)Std. InChI: InChI=1S/C8H5.Li/c1-2-8-6-4-3-5-7-8;/h3-7H
(5)Std. InChIKey: QQONVLVTCMNCTJ-UHFFFAOYSA-N