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296090 Sigma-Aldrich

Hexane

anhydrous, 95%

Synonym: n-Hexane

  • CAS Number 110-54-3

  • Linear Formula CH3(CH2)4CH3

  • Molecular Weight 86.18

  •  Beilstein/REAXYS Number 1730733

  •  EC Number 203-777-6

  •  MDL number MFCD00009520

  •  PubChem Substance ID 57648384

  •  NACRES NA.21

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Properties

Related Categories Anhydrous Solvents, Hexane, Solvent by Type, Solvent Bottles, Solvent Packaging Options,
Quality Level   100
grade   anhydrous
vapor density   ~3 (vs air)
vapor pressure   256 mmHg ( 37.7 °C)
  5.2 psi ( 37.7 °C)
  ~132 mmHg ( 20 °C)
assay   95%
autoignition temp.   453 °F
expl. lim.   7.7 %
impurities   <0.001% water
  <0.005% water (100 mL pkg)
evapn. residue   <0.0003%
refractive index   n20/D 1.375 (lit.)
bp   69 °C (lit.)
mp   −95 °C (lit.)
density   0.659 g/mL at 25 °C (lit.)
SMILES string   CCCCCC
InChI   1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChI key   VLKZOEOYAKHREP-UHFFFAOYSA-N

Description

General description

Hexane is a non-polar, volatile organic solvent mainly used as an extractant in oilseed processing.

Packaging

1, 6×1, 2 L in Sure/Seal™

100 mL in Sure/Seal™

Other Notes

The article number 296090-4X2L will be discontinued. Please order the single bottle 296090-2L which is physically identical with the same exact specifications.

Safety & Documentation

Safety Information

Signal word 
Danger
Target organs 
Central nervous system, Nervous system
RIDADR 
UN1208 - class 3 - PG 2 - Hexanes
WGK Germany 
WGK 2
RTECS 
MN9275000
Flash Point(F) 
-7.6 °F
Flash Point(C) 
-22 °C

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

A General, Efficient, and Functional-Group-Tolerant Catalyst System for the Palladium-Catalyzed Thioetherification of Aryl Bromides and Iodides

On the basis of mechanism-driven reaction design, a Pd-catalyzed nucleophilic fluorination of aryl bromides and iodides has been developed. The method exhibits a broad substrate scope, especially wit...
Keywords: Catalysis, Chromatography, Fluorinations, Ligands, Reductions

Cross Coupling Reactions of Chiral Secondary Organoboronic Esters With Retention of Configuration-

We describe a systematic study of the scope and relationship between ligand structure and activity for a highly efficient and selective class of catalysts containing sterically hindered chelating alk...
Keywords: Aminations, Gas chromatography, Ligands

Cross-Coupling of Mesylated Phenol Derivatives with Potassium Cyclopropyltrifluoroborate

A robust and efficient protocol for the introduction of the dioxolanylethyl moiety onto various aryl and heteroaryl halides has been developed, providing cross-coupling yields up to 93%. Copper-catal...
Keywords: Catalysis, Chromatography, Cross couplings, Flash chromatography, Purification

Highly Reactive, General and Long-Lived Catalysts for Palladium-Catalyzed Amination of Heteroaryl and Aryl Chlorides, Bromides, and Iodides: Scope and Structure-Activity Relationships

Boronic acids which quickly deboronate under basic conditions, such as polyfluorophenylboronic acid and five- membered 2-heteroaromatic boronic acids, are especially chal- lenging coupling partners f...
Keywords: Ligands

Palladium-catalyzed coupling of functionalized primary and secondary amines with aryl and heteroaryl halides: two ligands suffice in most cases

We report our studies on the use of two catalyst systems, based on the ligands BrettPhos and RuPhos, which provide the widest scope for Pd-catalyzed C-N cross-coupling reactions to date. Often low ca...
Keywords: Arylations, Catalysis, Coupling reactions, Cross couplings, Ligands, Pharmaceutical

Palladium-catalyzed inter- and intramolecular cross-coupling reactions of B-alkyl-9-borabicyclo[3.3.1]nonane derivatives with 1-halo-1-alkenes or haloarenes. Syntheses of functionalized alkenes, arenes, and cycloalkenes via a hydroboration-coupling sequence

The cross-coupling reaction of B-alkyl-9-borabicyclo[3.3.l]nonanes (B-R-9 BBN), readily obtainable from alkenes by hydroboration, with 1-halo-1-alkenes or haloarenes in the presence of a catalytic am...
Keywords: Catalysis, Chromatography, Column chromatography, Coupling reactions, Cross couplings, Oxidations

Pd-Catalyzed Alkynylation of 2-Chloroacetates and 2-Chloroacetamides with Potassium Alkynyltrifluoroborates

A practical method for palladium-catalyzed cyanation of aryl halides using Pd/C is described. The new method can be applied to a variety of aryl bromide and active aryl chloride substrates to effect ...
Keywords: Catalysis, Chromatography, High performance liquid chromatography

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Reversed-Polarity Synthesis of Diaryl Ketones through Palladium- Catalyzed Direct Arylation of 2-Aryl-1,3-dithianes

The title reaction leads to satisfactory yields of dihydrodibenzoazepines�1?a�from norbornene. The dibenzoazepines�2�can also be accessed from compounds of type�1?b�when norbornadiene is used as a re...
Keywords: Chromatography, Column chromatography

Suzuki-Miyaura Cross-Coupling of Unprotected, Nitrogen-Rich Heterocycles: Substrate Scope and Mechanistic Investigation

A mild, efficient, and low-temperature palladium-catalyzed cyanation of (hetero)aryl halides and triflates is reported. Previous palladium-catalyzed cyanations of (hetero)aryl halides have required h...
Keywords: Catalysis, Chromatography, Flash chromatography, Thin layer chromatography

Peer-Reviewed Papers
15

References

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