Bisphenol A Monosulfate Sodium Salt

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
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
330.05378903 g/mol
Monoisotopic Mass
330.05378903 g/mol
Topological Polar Surface Area
95Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
429
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

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