Bisphenol A-d14

Product Information

Molecular Formula:
C15H2D14O2
Molecular Weight:
242.37
Description
Applications: Bisphenol A-d14 is an isotope labelled form of Bisphenol A(B519495). Bisphenol A is a monomer used for policarbonate and epoxy resins; exhibits estrogenic activity. Bisphenol A is also used as a building block in polycarbonate bottles and in the epoxy-resin liners of metal cans.Dangerous Goods Info: Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
Synonyms
4,4'-[1-(Methyl-d3)ethylidene-2,2,2-d3]bis[phen-2,3,5,6-d4-ol]Bisphenol A-d14
IUPAC Name
2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)propan-2-yl]phenol
Canonical SMILES
CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D,9D,10D
InChI Key
IISBACLAFKSPIT-DDAUHAMOSA-N
Melting Point
154 - 155°C
Appearance
White to Off-White Solid
Storage
Refrigerator

Safety Information

Hazards
H303:
May be harmful if swallowed.
H317:
May cause an allergic skin reaction.
H318:
Causes serious eye damage.
H335:
May cause respiratory irritation.
H361:
Suspected of damaging fertility or the unborn child.
H401:
Toxic to aquatic life.
H411:
Toxic to aquatic life with long-lasting effects.
Precautionary Statement
P201:
Obtain special instructions before use.
P202:
Do not handle until all safety precautions have been read and understood.
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302:
IF ON SKIN:
P304:
IF INHALED:
P305:
IF IN EYES:
P310:
Immediately call a POISON CENTER or doctor/physician.
P313:
Get medical advice/attention.
P333:
If skin irritation or a rash occurs:
P338:
Remove contact lenses if present and easy to do. Continue rinsing.
P340:
Remove person to fresh air and keep comfortable for breathing.
P351:
Rinse cautiously with water for several minutes.
P352:
Wash with plenty of soap and water.

Computed Properties

XLogP3
3.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
242.202904192 g/mol
Monoisotopic Mass
242.202904192 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
209
Isotope Atom Count
14
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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

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