Bisphenol A Monosulfate Sodium Salt

Inquiry

Molecular Formula:

C15H15NaO5S

Molecular Weight:

330.33

CAS Number:

847696-37-1

Catalog Number:

847696-37-1

Product Information

Molecular Formula:

C15H15NaO5S

Molecular Weight:

330.33

Description

Applications: Bisphenol A Monosulfate Sodium Salt-d6 is the isotope labelled analog of Bisphenol A Monosulfate Sodium Salt (B519560); a derivative of Bisphenol A (B519495) which is a monomer used for policarbonate and epoxy resins; exhibits estrogenic activity. BPA is also used as a building block in polycarbonate bottles and in the epoxy-resin liners of metal cans.

Synonyms

sodium; [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] sulfate; Sodium 4-(2-(4-hydroxyphenyl)propan-2-yl)phenyl sulfate; Sodium 4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl sulfate; Bisphenol A sulfate sodium salt, 95% (CP)

IUPAC Name

sodium[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] sulfate

Canonical SMILES

CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H16O5S.Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(10-6-12)20-21(17,18)19/h3-10,16H,1-2H3,(H,17,18,19)/q+1/p-1

InChI Key

IENSPWAUWOIJJS-UHFFFAOYSA-M

Melting Point

>85°C (dec.)

Appearance

White to Off-White Solid

Storage

Hygroscopic, -20°C Freezer, Under inert atmosphere

Safety Information

Hazards

H317:
May cause an allergic skin reaction.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.
H361:
Suspected of damaging fertility or the unborn child.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305:
IF IN EYES:
P338:
Remove contact lenses if present and easy to do. Continue rinsing.
P351:
Rinse cautiously with water for several minutes.

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

330.05378903 g/mol

Monoisotopic Mass

330.05378903 g/mol

Topological Polar Surface Area

95Å²

Heavy Atom Count

Formal Charge

Complexity

429

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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Bisphenol A Monosulfate Sodium Salt

Product Information

Safety Information

Computed Properties

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