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
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.
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].
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 |
