Biphenyl-4,4'-disulfonyl chloride

Inquiry

Molecular Formula:

C12H8Cl2O4S2

Molecular Weight:

351.23

CAS Number:

3406-84-6

Catalog Number:

3406-84-6

Product Information

Molecular Formula:

C12H8Cl2O4S2

Molecular Weight:

351.23

Description

Biphenyl-4,4'-disulfonyl chloride (CAS# 3406-84-6) is a useful research chemical.

Synonyms

4-(4-chlorosulfonylphenyl)benzenesulfonyl chloride

IUPAC Name

4-(4-chlorosulfonylphenyl)benzenesulfonyl chloride

Canonical SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C12H8Cl2O4S2/c13-19(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(14,17)18/h1-8H

InChI Key

OTFAWEIFBPUXOH-UHFFFAOYSA-N

Boiling Point

476.7±38.0 °C (Predicted)

Melting Point

205-208 °C (lit.)

Purity

> 97.0 % (T)

Density

1.540±0.06 g/cm³(Predicted)

Solubility

Water : Insoluble (Decomposes)

Appearance

White to orange to green powder to crystal

LogP

5.37020

Safety Information

Hazards

H290:
May be corrosive to metals.
H314:
Causes severe skin burns and eye damage.

Precautionary Statement

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501

Signal Word

Danger

Computed Properties

XLogP3

3.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

349.9241065 g/mol

Monoisotopic Mass

349.9241065 g/mol

Topological Polar Surface Area

85Å²

Heavy Atom Count

Formal Charge

Complexity

467

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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Biphenyl-4,4'-disulfonyl chloride

Product Information

Safety Information

Computed Properties

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