Benzene-1,3-disulfonyl chloride

Inquiry

Molecular Formula:

C6H4Cl2O4S2

Molecular Weight:

275.13

CAS Number:

585-47-7

Catalog Number:

585-47-7

Product Information

Molecular Formula:

C6H4Cl2O4S2

Molecular Weight:

275.13

Description

Benzene-1,3-disulfonyl chloride (CAS# 585-47-7) is a compound useful in organic synthesis.

Synonyms

benzene-1,3-disulfonyl chloride

IUPAC Name

benzene-1,3-disulfonyl chloride

Canonical SMILES

C1=CC(=CC(=C1)S(=O)(=O)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H

InChI Key

ALIQZUMMPOYCIS-UHFFFAOYSA-N

Boiling Point

145 °C / 1 mmHg

Melting Point

62 °C

Purity

> 98.0 % (T) (HPLC)

Density

1.69 g/cm³

Appearance

Light brown solid

Storage

0-10 °C

LogP

3.70320

Safety Information

Hazards

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

Precautionary Statement

P260, P261, P264, P272, P280, P285, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P333+P313, P342+P311, P363, P405, and P501

Signal Word

Danger

Computed Properties

XLogP3

2.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

273.8928063 g/mol

Monoisotopic Mass

273.8928063 g/mol

Topological Polar Surface Area

85Å²

Heavy Atom Count

Formal Charge

Complexity

351

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

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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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