2,2-Bis(4-hydroxyphenyl)-1,1-dichloroethylene

Product Information

Molecular Formula:
C14H10Cl2O2
Molecular Weight:
281.13
Description
1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene is a diarylmethane.
Synonyms
1,1-Bis(4-hydroxyphenyl)-2,2-dichloroethylene||||4,4'-(2,2-Dichlorovinylidene)bisphenol
IUPAC Name
4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]phenol
Canonical SMILES
C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C14H10Cl2O2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,17-18H
InChI Key
OWEYKIWAZBBXJK-UHFFFAOYSA-N
Boiling Point
405.0±40.0 °C(Predicted)
Melting Point
213-217 °C(lit.)
Purity
>98.0%(GC)
Density
1.407±0.06 g/cm3(Predicted)
Appearance
White to Almost white 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
5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
280.0057849 g/mol
Monoisotopic Mass
280.0057849 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
273
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
RU-2752775-C1 Aromatic copolyester sulfones 2020-11-19
WO-2021262478-A1 Fiber-reinforced polymer composition 2020-06-25
WO-2021257370-A1 Polyvinyl chloride, polycarbonate and copolyester compositions and articles made using these compositions 2020-06-15
EP-3919544-A1 Poly(arylene ether) copolymer, method to prepare the same, and article derived therefrom 2020-06-05
EP-3919545-A1 Curable thermosetting composition including poly(arylene ether) copolymer 2020-06-05
WO-2021245625-A1 Poly(arylene ether) copolymer, method to prepare the same, and article derived therefrom 2020-06-05
WO-2021245626-A1 Curable thermosetting composition including poly(arylene ether) copolymer 2020-06-05
WO-2021237681-A1 Chemoenzymatic degradation of epoxy resins 2020-05-29
EP-3885392-A1 Functionalized poly(arylene ether) copolymer, method of making and articles obtained therefrom 2020-03-26
EP-3885393-A1 Modified poly(phenylene ether) copolymers, compositions, and methods thereof 2020-03-26

Literatures

PMID Publication Date Title Journal
36534918 2023-02-17 In vitro transcriptomic analyses reveal pathway perturbations, estrogenic activities, and potencies of data-poor BPA alternative chemicals Toxicological sciences : an official journal of the Society of Toxicology
36195136 2022-11-15 Bisphenol A analogues induce a feed-forward estrogenic response in zebrafish Toxicology and applied pharmacology
35077665 2022-02-25 New bisphenol A and bisphenol S analogs: Evaluation of their hERα agonistic and antagonistic activities using the OECD 455 in-vitro assay and molecular modeling Chemico-biological interactions
34328988 2021-11-01 Structural basis for molecular recognition of G protein-coupled estrogen receptor by selected bisphenols The Science of the total environment
34499926 2021-11-01 Bisphenol A derivatives act as novel coactivator-binding inhibitors for estrogen receptor β The Journal of biological chemistry
33983380 2021-08-03 Genomic and Hormonal Biomarkers of Phthalate-Induced Male Rat Reproductive Developmental Toxicity Part II: A Targeted RT-qPCR Array Approach That Defines a Unique Adverse Outcome Pathway Toxicological sciences : an official journal of the Society of Toxicology
34299453 2021-07-09 Study on the Joint Toxicity of BPZ, BPS, BPC and BPF to Zebrafish Molecules (Basel, Switzerland)
31836225 2020-05-15 A tiered high-throughput screening approach for evaluation of estrogen and androgen receptor modulation by environmentally relevant bisphenol A substitutes The Science of the total environment
31415773 2019-10-01 Differential activity of BPA, BPAF and BPC on zebrafish estrogen receptors in vitro and in vivo Toxicology and applied pharmacology
30649549 2019-04-01 A Conflicted Tale of Two Novel AR Antagonists In Vitro and In Vivo: Pyrifluquinazon Versus Bisphenol C Toxicological sciences : an official journal of the Society of Toxicology
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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