1,3-bis-(Hexafluoro-2-hydroxyisopropyl)benzene

Inquiry

Molecular Formula:

C12H6F12O2

Molecular Weight:

410.16

CAS Number:

802-93-7

Catalog Number:

802-93-7

Product Information

Molecular Formula:

C12H6F12O2

Molecular Weight:

410.16

Description

1,3-bis-(Hexafluoro-2-hydroxyisopropyl)benzene is a specialized biomedical compound often used in Biochemical Research arenas. Displaying fluorogenic properties, this compound is instrumental in designing fluorescent probes for disease detection, specifically in cancer treatments and research.

Synonyms

1,3-bis-(Hexafluoro-2-hydroxyisopropyl)benzene; 1,3-bis-(2-Hydroxyhexafluoroisopropyl)benzene; alpha,alpha,alpha',alpha'-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol

IUPAC Name

1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol

Canonical SMILES

C1=CC(=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O

InChI

InChI=1S/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-2-1-3-6(4-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H

InChI Key

PGUIOHNOYADLMU-UHFFFAOYSA-N

Boiling Point

209°C(lit.)

Melting Point

41892°C

Flash Point

97 °C

Purity

>98.0%(GC)

Density

1.659

Appearance

clear colorless to slightly yellow liquid

Refractive Index

1.39

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

4.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

410.0176174 g/mol

Monoisotopic Mass

410.0176174 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

428

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113956791-A	Composition for forming hard coating, hard coating film and preparation method thereof	2021-10-06
JP-2021178818-A	Method for producing dihydroquinolinone compound	2020-05-11
WO-2021230198-A1	Cocrystal of dihydroquinolinone compound	2020-05-11
JP-2021161122-A	A catalyst for increasing the amount of olefins and a method for producing an olefin multimer in the presence of the catalyst.	2020-03-31
US-2021079293-A1	Methods of producing coated proppants	2019-09-17
CN-112351859-A	Adhesive tape for glass processing	2019-05-29
CN-112368107-A	Adhesive tape for glass processing	2019-05-29
CN-112368108-A	Adhesive tape for glass processing	2019-05-29
KR-20210015888-A	Glass processing tape	2019-05-29
KR-20210015889-A	Glass processing tape	2019-05-29

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)