ChemicalBook--->CAS DataBase List--->21369-64-2

21369-64-2

21369-64-2 Structure

21369-64-2 Structure
IdentificationBack Directory
[Name]

N-HEXYLLITHIUM
[CAS]

21369-64-2
[Synonyms]

HEXYLLITHIUM
N-HEXYLLITHIUM
1-Lithiohexane
1-Hexyllithium
lithium,hexane
Lithium, hexyl-
hexyllithium solution
N-HEXYLLITHIUM: 25% IN HEXANE, 1.9M
HEXYLLITHIUM, 2.3M SOLUTION IN HEXANE
HEXYLLITHIUM SOLUTION, ~2.3 M IN HEXANE
Hexyllithium (30% in Hexane, ca. 2.3mol/L)
n-Hexyllithium, 33 wt.% solution in n-hexane
n-Hexyllithium, 33% (ca 2.47M) soln. in hexane
HexyllithiuM, 2.5 M solution in Hexane, SpcSeal
n-Hexyllithium33 wt.% solution in n-hexaneAcroSeal§3
n-Hexyllithium, 33 wt.% solution in n-hexane, AcroSeal
[EINECS(EC#)]

404-950-0
[Molecular Formula]

C6H13Li
[MDL Number]

MFCD00191446
[MOL File]

21369-64-2.mol
[Molecular Weight]

92.11
Chemical PropertiesBack Directory
[Appearance]

often supplied as a deep yellow solution (ca 2M) in hexane
[Melting point ]

69.00°C
[Boiling point ]

69 °C
[density ]

0.708 g/mL at 25 °C
[vapor pressure ]

26.9-39.3hPa at 20-35℃
[Fp ]

16 °F
[storage temp. ]

2-8°C
[color ]

yellow-brown
[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.
[Sensitive ]

Moisture Sensitive
[BRN ]

3600261
[InChI]

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

RMKNFFPDYCVCDI-UHFFFAOYSA-N
[SMILES]

C(CC[Li])CCC
[EPA Substance Registry System]

Lithium, hexyl- (21369-64-2)
Hazard InformationBack Directory
[Chemical Properties]

often supplied as a deep yellow solution (ca 2M) in hexane
[Description]

n-Hexyllithium [21369-64-2], C6H13Li, Mr 92.11, r 0.766 g/cm3 is a pyrophoric colorless and viscous liquid in the neat state. It is commercially available as a 33 % solution in technical-grade hexane. Its reactivity resembles that of n-butyllithium and it can thus principally be used for the same applications. An advantage is that it does not form gaseous byproducts in deprotonation reactions and on hydrolysis, but liquid hexane instead.
[Uses]

n-Hexyllithium could be used as alkylating agent for various functional groups; metalating agent of aryl and heteroaryl ring systems; slightly less reactive than n-butyllithium.
[Synthesis]

Lithium n-hexyl preparation is as follows: argon protection, to the 500L reactor into the 250L white oil, 21kg lithium flakes, slow stirring temperature to 180 ℃, stirring 0.5h, accelerate the stirring speed of the reactor to 130 rpm, 180 ℃ stirring 1h

[Precautions]

n-Hexyllithium should be handled as n-Butyllithium; store in a cool, dry place in a tightly sealed container under an inert atmosphere.
Safety DataBack Directory
[Hazard Codes ]

F,Xn,N,C
[Risk Statements ]

11-14/15-17-35-48/20-51/53-62-65-67
[Safety Statements ]

26-30-36/37/39-43-45-61-62-16-6
[RIDADR ]

UN 3394 4.2/PG 1
[WGK Germany ]

2
[F ]

10-23
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

4.3
[PackingGroup ]

I
[HS Code ]

29319090
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