Vinylcyclohexane

Inquiry

Molecular Formula:

C8H14

Molecular Weight:

110.20

CAS Number:

695-12-5

Catalog Number:

695-12-5

Product Information

Molecular Formula:

C8H14

Molecular Weight:

110.20

Description

Vinylcyclohexane is a highly significant chemical compound extensively utilized within the biomedical industry and assumes the role of an indispensable precursor in the synthesis of pharmaceutical drugs. Such drugs encompass a diverse range, extending to multifarious categories like antifungal agents and anti-inflammatory medications. Moreover, the pivotal involvement of vinylcyclohexane can be observed in its contribution towards the advancement of innovative therapeutic interventions targeting afflictions such as cancer and neurological disorders.

Synonyms

VINYLCYCLOHEXANE; 1-Vinylcyclohexane; Cyclohexane, vinyl-; cyclohexane,ethenyl-; Cyclohexane,ethenyl-(9CI); Cyclohexane,vinyl-; Cyclohexylethene; ethenyl-cyclohexan

IUPAC Name

ethenylcyclohexane

Canonical SMILES

C=CC1CCCCC1

InChI

InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2

InChI Key

LDLDYFCCDKENPD-UHFFFAOYSA-N

Boiling Point

128ºC

Flash Point

15 ℃

Purity

99%

Density

0.805

Appearance

clear, colorless liquid

Storage

0-6ºC

Refractive Index

n20/D 1.446 (lit.)

Safety Information

Hazards

H225:
Highly flammable liquid and vapour.
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.

Precautionary Statement

P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P233:
Keep container tightly closed.
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378:
In case of fire:
Use for extinction:

Computed Properties

XLogP3

3.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

110.109550447 g/mol

Monoisotopic Mass

110.109550447 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

68.1

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Volume _(start)

Concentration _(final)

Volume _(final)

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Vinylcyclohexane

Product Information

Safety Information

Computed Properties

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