4,4'-sulphonylbis[2-aminophenol]

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Molecular Formula:

C12H12N2O4S

Molecular Weight:

280.3

CAS Number:

7545-50-8

Catalog Number:

B2699-013486

Catalog Number	Size	Price	Stock	Quantity
B2699-013486	50 g	$519	In stock

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Product Information

Molecular Formula:

C12H12N2O4S

Molecular Weight:

280.3

Description

4,4'-sulphonylbis[2-aminophenol] (CAS# 7545-50-8 ) is a useful research chemical.

Synonyms

3,3'-Diamino-4,4'-dihydroxydiphenyl Sulfone; 4,4'-Sulfonylbis(2-aminophenol); Bis(3-amino-4-hydroxyphenyl) Sulfone; 4,4'-Sulphonylbis(2-aminophenol)

IUPAC Name

2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol

Canonical SMILES

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)O)N)N)O

InChI

InChI=1S/C12H12N2O4S/c13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8/h1-6,15-16H,13-14H2

InChI Key

KECOIASOKMSRFT-UHFFFAOYSA-N

Boiling Point

596.9±50.0 °C (Predicted)

Melting Point

231 °C

Purity

> 98.0 % (LC)

Density

1.564±0.06 g/cm³(Predicted)

Solubility

>42 [ug/mL] (The mean of the results at pH 7.4)

Appearance

White to gray to brown powder to crystal

Safety Information

Hazards

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

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

0.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

280.05177804 g/mol

Monoisotopic Mass

280.05177804 g/mol

Topological Polar Surface Area

135Å²

Heavy Atom Count

Formal Charge

Complexity

376

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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4,4'-sulphonylbis[2-aminophenol]

Product Information

Safety Information

Computed Properties

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