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21369-64-2

Basic Information
CAS No.: 21369-64-2
Name: N-HEXYLLITHIUM
Molecular Structure:
Molecular Structure of 21369-64-2 (N-HEXYLLITHIUM)
Formula: C6H13Li
Molecular Weight: 92.1102
Synonyms: Hexyllithium;
EINECS: 404-950-0
Density: 0.708 g/mL at 25 °C
Boiling Point: 69 °C
Flash Point: 16 °F
Appearance: clear yellowish to light orange solution
Hazard Symbols: FlammableF;HarmfulXn;DangerousN;CorrosiveC
Risk Codes: 11-14/15-17-35-48/20-51/53-62-65-67
Safety: 26-30-36/37/39-43-45-61-62-16-6
Transport Information: UN 3394
PSA: 0.00000
LogP: 2.53430
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Specification

The Lithium, hexyl-, with the CAS registry number of 21369-64-2, is also known as Hexyllithium. It belongs to the product categories of Alkyl Metals; Classes of Metal Compounds; Grignard Reagents & Alkyl Metals; Li (Lithium) Compounds; Synthetic Organic Chemistry; Typical Metal Compounds; Alkyl Chemical Synthesis; Organic Bases; Organolithium; Organometallic Reagents; Synthetic Reagents. Its EINECS registry number is 404-950-0. This chemical's molecular formula is C6H13Li and molecular weight is 92.11. What's more, its IUPAC name is Lithium hexane. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. In addition, it must be stored at 2-8 °C. Lithium, hexyl- has similar chemical properties to n-Butyllithium (BuLi). Its main advantage over BuLi, particularly in industrial use, is the production of liquid n-hexane as a byproduct rather than gaseous (and highly flammable) butane.

Physical properties about the Lithium, hexyl- are: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 0 Å2.

Uses: it is used to produce other chemicals. For example, it is used to produce 4-Hexyl-2,2,6,6-tetramethyl-piperidin-4-ol. This reaction needs solvent Tetrahydrofuran. The reaction temperature is 20 °C. The yield is about 71.2 %.

The Lithium, hexyl- can react with 2,2,6,6-Tetramethyl-piperidin-4-one to get 4-Hexyl-2,2,6,6-tetramethyl-piperidin-4-ol

When you are using this chemical, please be cautious about it as the following:
As a chemical, it reacts violently with water, liberating extremely flammable gases. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. It is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection. 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: CCCCCC[Li]
(2) InChI: InChI=1/C6H13.Li/c1-3-5-6-4-2;/h1,3-6H2,2H3;/rC6H13Li/c1-2-3-4-5-6-7/h2-6H2,1H3
(3) InChIKey: RMKNFFPDYCVCDI-ZLJYRZARAB