Allylpentafluorobenzene

Inquiry

Molecular Formula:

C9H5F5

Molecular Weight:

208.13

CAS Number:

1736-60-3

Catalog Number:

1736-60-3

Product Information

Molecular Formula:

C9H5F5

Molecular Weight:

208.13

Description

Allylpentafluorobenzene (CAS# 1736-60-3) is a useful research chemical.

Synonyms

1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene

IUPAC Name

1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene

Canonical SMILES

C=CCC1=C(C(=C(C(=C1F)F)F)F)F

InChI

InChI=1S/C9H5F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2H,1,3H2

InChI Key

YBDBTBVNQQBHGJ-UHFFFAOYSA-N

Boiling Point

148-149 °C / 760 mmHg

Flash Point

43 °C (C.C)

Purity

> 98.0 % (GC)

Density

1.358 g/mL at 25 °C (lit.)

Appearance

Colorless liquid

Refractive Index

1.4270

LogP

3.11060

Safety Information

Hazards

H226:
Flammable liquid and vapour.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

3.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

208.03114097 g/mol

Monoisotopic Mass

208.03114097 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

191

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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Allylpentafluorobenzene

Product Information

Safety Information

Computed Properties

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