Dimethyl 5-sulfoisophthalate sodium salt

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Molecular Formula:

C10H9NaO7S

Molecular Weight:

296.23

CAS Number:

3965-55-7

Catalog Number:

3965-55-7

Product Information

Molecular Formula:

C10H9NaO7S

Molecular Weight:

296.23

Description

Dimethyl 5-sulfoisophthalate sodium salt (CAS# 3965-55-7) is a useful research chemical.

Synonyms

sodium;3,5-bis(methoxycarbonyl)benzenesulfonate

IUPAC Name

sodium;3,5-bis(methoxycarbonyl)benzenesulfonate

Canonical SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.[Na+]

InChI

InChI=1S/C10H10O7S.Na/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;/h3-5H,1-2H3,(H,13,14,15);/q;+1/p-1

InChI Key

LLHSEQCZSNZLRI-UHFFFAOYSA-M

Purity

> 98.0 % (T) (HPLC)

Density

1.458 g/cm³

Appearance

White to almost white powder to crystal

LogP

1.24470

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

295.99666808 g/mol

Monoisotopic Mass

295.99666808 g/mol

Topological Polar Surface Area

118Å²

Heavy Atom Count

Formal Charge

Complexity

404

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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Dimethyl 5-sulfoisophthalate sodium salt

Product Information

Safety Information

Computed Properties

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