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468568

Sigma-Aldrich

Hexyllithium solution

2.3 M in hexane

Synonym(s):

1-Hexyllithium, n-Hexyllithium, Hexane - lithium complex

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About This Item

Linear Formula:
CH3(CH2)5Li
CAS Number:
21369-64-2
Molecular Weight:
92.11
Beilstein:
3600261
MDL number:
MFCD00191446
UNSPSC Code:
12352103
PubChem Substance ID:
24870524
NACRES:
NA.22

form

liquid

Quality Level

200

concentration

2.3 M in hexane

bp

69 °C

density

0.708 g/mL at 25 °C

storage temp.

2-8°C

SMILES string

[Li]CCCCCC

InChI

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

InChI key

RMKNFFPDYCVCDI-UHFFFAOYSA-N

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General description

Hexyllithium solution is an organolithium compound used in organic synthesis as a strong base, alkylating agent, and lithiation reagent.

Application

Hexyllithium solution can be used as an alkylating agent in the:
  • Ni-catalyzed cross-coupling with aryl halides.
  • Cu-catalyzed enantioselective allylic alkylation.
It can also be used as a lithiation agent for the lithiation of azetidines.

Packaging

The 25 mL Sure/Seal™ bottle is recommended as a single-use bottle. Repeated punctures will likely result in decreased performance of product.

Legal Information

Sure/Seal is a trademark of Sigma-Aldrich Co. LLC

Signal Word

Danger

Hazard Classifications

Aquatic Chronic 2 - Asp. Tox. 1 - Eye Dam. 1 - Flam. Liq. 2 - Pyr. Liq. 1 - Repr. 2 - Skin Corr. 1A - STOT RE 2 Inhalation - STOT SE 3 - Water-react 1

Target Organs

Central nervous system, Nervous system

Supplementary Hazards

EUH014

Storage Class Code

4.2 - Pyrophoric and self-heating hazardous materials

WGK

WGK 3

Flash Point(F)

15.8 °F - closed cup

Flash Point(C)

-9 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 3: Spontaneously combustible substances and water- reactive materials
Materials containing Alkyl lithium
Hazardous rank I

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

468568-4X25ML:4548173315638
468568-VAR:
468568-100ML:4548173155630
468568-BULK:
468568-PZ:
468568-1L:4548173155647

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Certificates of Analysis (COA)

Lot/Batch Number
STBK5688
SHBN2099
STBK1808
STBJ7828
STBJ6498

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Jacqueline E Cloud et al.
Angewandte Chemie (International ed. in English), 53(52), 14527-14532 (2014-11-05)
The synthesis of colloidal nanocrystals (NCs) of lithiated group 14 elements (Z=Si, Ge, and Sn) is reported, which are Li4.4 Si, Li3.75 Si, Li4.4 Ge, and Li4.4 Sn. Lix Z compounds are highly reactive and cannot be synthesized by existing methods.

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