5-Hydroxyisophthalic acid

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Molecular Formula:

C8H6O5

Molecular Weight:

182.13

CAS Number:

618-83-7

Catalog Number:

B1370-323080

Catalog Number	Size	Price	Stock	Quantity
B1370-323080	500 g	$178	In stock

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Product Information

Molecular Formula:

C8H6O5

Molecular Weight:

182.13

Description

5-Hydroxyisophthalic acid is used as a reagent in the synthesis of silver carboxylate metal organic framework (MOF) complexes. 5-Hydroxyisophthalic Acid is also used as the starting material in the synthesis of N,N'-Bis(2,3-dihydroxypropyl)-5-[(N-(2-hydroxyethyl)carbamoyl)methoxy]-2,4,6-triiodoisophthalamide. It is a compound related to Ioversol which is a nonionic, low osmolality, radiographic contrast agent.

Synonyms

5-Oxyisophthalic acid; 1,3-Benzenedicarboxylic acid, 5-hydroxy-

IUPAC Name

5-hydroxybenzene-1,3-dicarboxylic acid

Canonical SMILES

C1=C(C=C(C=C1C(=O)O)O)C(=O)O

InChI

InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)

InChI Key

QNVNLUSHGRBCLO-UHFFFAOYSA-N

Boiling Point

516.9±45.0 °C at 760 mmHg

Melting Point

298-302 °C

Purity

97 %

Density

1.612 g/cm³

Appearance

White to slightly yellow powder

Storage

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Refractive Index

1.4330 (estimate)

LogP

0.78860

Safety Information

Hazards

H315 H319

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

0.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

182.02152329 g/mol

Monoisotopic Mass

182.02152329 g/mol

Topological Polar Surface Area

94.8Å²

Heavy Atom Count

Formal Charge

Complexity

203

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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5-Hydroxyisophthalic acid

Product Information

Safety Information

Computed Properties

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