4,4-(1-Phenylethylidene)bisphenol
Product Information
Molecular Formula
C20H18O2
Molecular Weight
290.36
Description
Applications: Bisphenol AP-d5 is the isotope labelled analog of Bisphenol AP. Bisphenol AP is used to prepare triphenylmethane derivatives as inhibitors of hepatitis C virus helicase. It is a derivative of Bisphenol A which is a monomer used for policarbonate and epoxy resins.
Synonyms
Bisphenol AP
IUPAC Name
4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol
SMILES
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3
InChI Key
VOWWYDCFAISREI-UHFFFAOYSA-N
Boiling Point
473.8±35.0 °C(Predicted)
Melting Point
188-191 °C(lit.)
Purity
>98.0%(GC)
Density
1.179±0.06 g/cm3(Predicted)
Appearance
White to Almost white powder to crystal
Storage
Refrigerator
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H410:
Very toxic to aquatic life with long-lasting effects.
Causes skin irritation.
H319:
Causes serious eye irritation.
H410:
Very toxic to aquatic life with long-lasting effects.
Precautionary Statement
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Computed Properties
XLogP3
4.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
290.130679813 g/mol
Monoisotopic Mass
290.130679813 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
310
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
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113999382-A | Preparation method of polycarbonate | 2021-12-10 |
| CN-114010176-A | Optical fiber device and method for detecting and analyzing heart rate of zebra fish in real time | 2021-12-01 |
| CN-114057992-A | Resin composition for carbon fiber molding | 2021-11-02 |
| CN-113817169-A | High-temperature-resistant block polysulfate and preparation method thereof | 2021-11-01 |
| CN-113956441-A | Die pressing free radical modified epoxy resin composition | 2021-10-29 |
| CN-113637153-A | Multi-block polyether type high-molecular surfactant and preparation method and application thereof | 2021-10-18 |
| CN-113637154-A | Nonionic polyether type high-molecular surfactant and preparation method and application thereof | 2021-10-18 |
| CN-113637155-A | Anionic polyether type high-molecular surfactant and preparation method thereof | 2021-10-18 |
| CN-113817414-A | High-temperature-resistant cyanate ester insulating heat-conducting adhesive and preparation method thereof | 2021-09-18 |
| CN-113980370-A | High-hardness, high-peel-strength and yellowing-resistant hydrocarbon resin composition as well as preparation method and application thereof | 2021-08-26 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22784190 | 2012-08-21 | Occurrence of eight bisphenol analogues in indoor dust from the United States and several Asian countries: implications for human exposure | Environmental science & technology |
| 19419203 | 2009-05-14 | Structure-based discovery of triphenylmethane derivatives as inhibitors of hepatitis C virus helicase | Journal of medicinal chemistry |
