Hexyllithium | CAS No. 21369-64-2

Hexyllithium

Basic Information

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CAS Number

21369-64-2

Molecular Formula

C6H13Li

Molecular Weight

92.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

69 °C

Flash Point

16 °F

SMILES

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[Li+].CCCCC[CH2-]

InChI

InChI=1S/C6H13.Li/c1-3-5-6-4-2;/h1,3-6H2,2H3;

InChIKey

RMKNFFPDYCVCDI-UHFFFAOYSA-N

LogP

2.1535

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

20.1

Safety Information

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GHS Hazard Pictograms

H225

H250

H260

H304

H314

H336

H373

H411

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H250 Catches fire spontaneously if exposed to air
Pyrophoric liquids; Pyrophoric solids

H260 In contact with water releases flammable gases which may ignite spontaneously
Substances And Mixtures Which, In Contact With Water, Emit Flammable Gases

H304 May be fatal if swallowed and enters airways
Aspiration hazard

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H336 May cause drowsiness or dizziness
Specific target organ toxicity, single exposure; Narcotic effects

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 4.3 Class 4.3

Stability

Stable, but highly flammable. Reacts violently with water, releasing flammable gas. May spontaneously inflame in air. Moisture and air sensitive. Incompatible with water, alcohols, halocarbons.

Sensitiveness

Moisture Sensitive

Synonyms & References

English

Lithium, hexyl-
n-HexLi
MFCD00191446
Q5749096
n-hexyllitium
lithium;hexane
HexLi
H0842
21369-64-2
Hexyllithium
hexyl lithium
hexyl-lithium
RMKNFFPDYCVCDI-UHFFFAOYSA-N
FT-0627054
DTXSID0074899
AKOS024438272
n-hexyl lithium
1-Hexyllithium; 1-Lithiohexane; Hexyllithium; n-Hexyllithium
n-Hexyllithium
n-hexyllithiurn
EC 404-950-0
n-hexyllithium
Hexyllithium, 2.5 M solution in Hexane, SpcSeal
lithium,hexane
Hexyllithium solution
HxLi
Lithium,hexyl
1-Hexyllithium
1-Lithiohexane

MDL Number

MFCD00191446

Customs Code

2931900090

FAQ

What are the physical and chemical properties of Hexyllithium (CAS: 21369-64-2)?

Hexyllithium is a colorless to pale yellow liquid with a molecular weight of approximately 103.2 g/mol. It has a high solubility in ether and other organic solvents but is almost insoluble in water. Hexyllithium is highly reactive, readily forming alkyl lithium compounds in the presence of air and moisture.

How is Hexyllithium (CAS: 21369-64-2) typically synthesized?

Hexyllithium is typically synthesized by the reaction of hexyl bromide with lithium metal in an inert solvent like ether under an inert atmosphere. The process involves a substitution reaction where the bromide ion is replaced by a lithium ion, yielding hexyllithium with a high yield and good selectivity.

What industries use Hexyllithium (CAS: 21369-64-2)?

Hexyllithium is primarily used in the synthesis of organolithium compounds for applications in pharmaceuticals, polymers, and fine chemicals. It is also used in the production of sensors and semiconductors due to its reactivity and ability to form stable organolithium intermediates.

What precautions should be taken when handling Hexyllithium (CAS: 21369-64-2)?

Hexyllithium should be handled in a fume hood and with appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. It is highly reactive and flammable, so it should be stored in a cool, dry place away from moisture and oxidizers. In case of a spill, use appropriate cleanup materials and refer to the Safety Data Sheet (SDS) for detailed instructions.