3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene-2,2'-diol

Basic Information

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CAS Number

849939-13-5

Molecular Formula

C36H18F12O2

Molecular Weight

1421.03 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data avaiable

Melting Point

215-219 °C

Boiling Point

574.7±50.0 °C(Predicted)

Density

1.466±0.06 g/cm3(Predicted)

Flash Point

No data available

Vapor Pressure

No data available

SMILES

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Oc1c(cc2c(c1c1c(O)c(cc3c1cccc3)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)cccc2)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.Oc1c(cc2c(c1c1c(O)c(cc3c1cccc3)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)cccc2)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C36H18F12O2/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h1-16,49-50H

InChIKey

PGXMYJSTCAQJBY-UHFFFAOYSA-N

LogP

24.96080000000004

pKa

7.62±0.50(Predicted)

Topological Polar Surface Area

80.92 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

1020

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

(S)-(-)-3,3'-BIS(3,5-BIS(TRIFLUOROMETHY&
(1S)-3,3μ-Bis[3,5-bis(trifluoromethyl)phenyl]1,1μ-binaphthalene-2,2μ-diol
SF120022
(S)-(-)-3-3μ-Bis(3,5-bis(trifluoromethyl)phenyl)-1,1μ-bi-2-naphthol
(S)-3,3'-Bis(3,5-bis(trifluoromethyl)phenyl)-1,1'-bi-2-napthol
(S)-3-3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-bi-2- naphthol, 99%e.e.
[1,1'-Binaphthalene]-2,2'-diol, 3,3'-bis[3,5-bis(trifluoromethyl)phenyl]-, (1S)-
(S)-3,3'-Bis(3,5-bis(trifluoromethyl)phenyl)-[1,1'-binaphthalene]-2,2'-diol
[1,1'-Binaphthalene]-2,2'-diol,3,3'-bis[3,5-bis(trifluoromethyl)phenyl]-, (1S)-
(S)-3,3'-Bis(3,5-bis(trifluoromethyl)-phenyl)-1,1'-bi-2-napthol
3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene-2,2'- diol
(S)-3-3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-bi-2-naphthol
C36H18F12O2
(R)-3,3'-Bis(3,5-bis(trifluoromethyl)-phenyl)-1,1'-bi-2-napthol
(R)-(+)-3,3'-Bis(3,5-bis(trifluoromethyl)phenyl)-1,1'-bi-2-naphthol
(R)-3,3'-Bis(3,5-bis(trifluoromethyl)phenyl)-[1,1'-binaphthalene]-2,2'-diol
3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
SC
CID 11664821

MDL Number

MFCD08689862

Customs Code

2809200000

FAQ

What are the physical and chemical properties of 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene-2,2'-diol (CAS: 849939-13-5)?

3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene-2,2'-diol is a crystalline compound with a molecular weight of approximately 914.12 g/mol. It has low solubility in water but is soluble in organic solvents like dichloromethane and acetonitrile. The compound is known for its high reactivity towards electrophilic aromatic substitution reactions. It exhibits excellent stability under normal conditions but can be sensitive to strong oxidizing agents.

How is 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene-2,2'-diol (CAS: 849939-13-5) typically synthesized?

3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene-2,2'-diol is typically synthesized via a multistep process involving the condensation of 3,5-bis(trifluoromethyl)phenyl boronic acid with 3,3'-binaphthyl-2,2'-dione in the presence of a palladium catalyst. The reaction yields a high purity product with excellent yield and good selectivity.

What industries use 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene-2,2'-diol (CAS: 849939-13-5)?

3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene-2,2'-diol is used in various industries, including pharmaceuticals, where it serves as a building block for synthesizing complex organic compounds. It is also utilized in semiconductor manufacturing for sensitizing organic photovoltaic materials and in the development of high-performance polymers and sensors.

What precautions should be taken when handling 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene-2,2'-diol (CAS: 849939-13-5)?

When handling 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene-2,2'-diol, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Store the compound in a fume hood to minimize exposure to air and handle with care to avoid skin contact and inhalation. In case of a spill, neutralize with an appropriate acid-base buffer and dispose of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.