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V800138

Supelco

Cyclohexane

suitable for HPLC, ≥99.7%

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About This Item

Empirical Formula (Hill Notation):
C6H12
CAS Number:
110-82-7
Molecular Weight:
84.16
Beilstein:
1900225
EC Number:
203-806-2
MDL number:
MFCD00003814
UNSPSC Code:
12191502
PubChem Substance ID:
329829186

vapor density

2.9 (vs air)

vapor pressure

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

product line

Vetec™

Assay

≥99.7%

form

liquid

autoignition temp.

500 °F

expl. lim.

9 %

technique(s)

HPLC: suitable

refractive index

n20/D 1.426 (lit.)

bp

80.7 °C (lit.)

mp

4-7 °C (lit.)

density

0.779 g/mL at 25 °C (lit.)

SMILES string

C1CCCCC1

InChI

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

InChI key

XDTMQSROBMDMFD-UHFFFAOYSA-N

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Legal Information

Vetec is a trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Danger

Hazard Statements

H225,H304,H315,H336,H410

Hazard Classifications

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

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

-4.0 °F - closed cup

Flash Point(C)

-20 °C - closed cup

Certificates of Analysis (COA)

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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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