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676861

Sigma-Aldrich

Cyclohexane

ACS reagent, ≥99%

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About This Item

Formule empirique (notation de Hill):
C6H12
Numéro CAS:
110-82-7
Poids moléculaire :
84.16
Numéro Beilstein :
1900225
Numéro CE :
203-806-2
Numéro MDL:
MFCD00003814
Code UNSPSC :
12191502
ID de substance PubChem :
329760657
Nomenclature NACRES :
NA.21

Qualité

ACS reagent

Niveau de qualité

200

Agence

suitable for EPA 1613

Densité de vapeur

2.9 (vs air)

Pression de vapeur

168.8 mmHg ( 37.7 °C)
77 mmHg ( 20 °C)

Pureté

≥99%

Forme

liquid

Température d'inflammation spontanée

500 °F

Limite d'explosivité

9 %

Impuretés

H2SO4, passes test
≤0.02% Water

Résidus d'évap.

≤0.002%

Couleur

APHA: ≤10

Indice de réfraction

n20/D 1.426 (lit.)

Point d'ébullition

80.7 °C (lit.)

Pf

4-7 °C (lit.)

Solubilité

ethanol: miscible(lit.)
water: insoluble(lit.)

Densité

0.779 g/mL at 25 °C (lit.)

Chaîne SMILES 

C1CCCCC1

InChI

1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

Clé InChI

XDTMQSROBMDMFD-UHFFFAOYSA-N

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Description générale

Cyclohexane, a cycloalkane, is a combustible liquid with petrol like odor. It can be synthesized by hydrogenation of benzene in the presence of nickel or platinum catalysts. Cyclohexane is the precursor for the synthesis of polyamides. Cyclohexane ring forms the structural unit of many naturally occurring products. The conformational changes of cyclohexane have been investigated over the temperature range of 100-1200°C. Conversion of cyclohexane to cyclohexanol and cyclohexanone, via oxidation in the presence of Cu-nanoclusters anchored on nanocrystalline Cr2O3 has been reported.

Application

Cyclohexane has been used to prepare iodine solution for analyzing the influence of vibrational relaxation of I2 molecules on structure using picosecond X-ray liquidography.

Mention d'avertissement

Danger

Mentions de danger

H225,H304,H315,H336,H410

Classification des risques

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Organes cibles

Central nervous system

Code de la classe de stockage

3 - Flammable liquids

Classe de danger pour l'eau (WGK)

WGK 2

Point d'éclair (°F)

-4.0 °F - closed cup

Point d'éclair (°C)

-20 °C - closed cup

Certificats d'analyse (COA)

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Conformational transitions in cyclohexane and benzol.
Melker AI, et al.
SPIE Proc., 5127 (2003)
Eagleson M.
Concise Encyclopedia Chemistry, 296-296 (1994)
Jae Hyuk Lee et al.
Journal of the American Chemical Society, 135(8), 3255-3261 (2013-02-05)
Molecules are often born with high energy and large-amplitude vibrations. In solution, a newly formed molecule cools down by transferring energy to the surrounding solvent molecules. The progression of the molecular and solute-solvent cage structure during this fundamental process has
Room temperature selective oxidation of cyclohexane over Cu-nanoclusters supported on nanocrystalline Cr2O3.
Sarkar B, et al.
Green Chemistry, 14(9), 2600-2606 (2012)
Amanda L Pitts et al.
Journal of the American Chemical Society, 136(24), 8614-8625 (2014-05-16)
Carbon-hydrogen bond activation reactions of four cycloalkanes (C5H10, C6H12, C7H14, and C8H16) by the Cp'Rh(CO) fragments (Cp' = η(5)-C5H5 (Cp) or η(5)-C5Me5 (Cp*)) were modeled theoretically by combining density functional and coupled cluster theories, and their reaction rates were measured
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