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1,4-Benzenedimethanol, a1,a1,a4,a4-tetrakis(trifluoromethyl)-

1,4-Benzenedimethanol, a1,a1,a4,a4-tetrakis(trifluoromethyl)-

Inquiry

Molecular Formula:

C12H6 F12 O2

Molecular Weight:

410.16

CAS Number:

1992-15-0

Catalog Number:

1992-15-0

Product Information

Molecular Formula:

C12H6 F12 O2

Molecular Weight:

410.16

Description

1,4-Benzenedimethanol, a1,a1,a4,a4-tetrakis(trifluoromethyl)- is a complex organic molecule suitable for many aspects of biomedicine. Its utilization is mainly concentrated in drug development research aimed at developing new pharmaceutical formulations for a wide range of pathological conditions.

Synonyms

1,4-HFAB; 1,4-BIS (HEXAFLUORO 2-HYDROXY-2-PROPYL) BENZENE; 1,4-BIS(HEXAFLUORO-2-HYDROXYISOPROPYL)BENZENE; 1,4-BIS(HEXAFLUORO-ALPHA-HYDROXYISOPROPYL)BENZENE; 1,4-BIS(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPYL)BENZENE; 1,4-BIS(2-HYDROXYHEXAFLUOROISOPROPYL)BENZENE; A

IUPAC Name

1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol

Canonical SMILES

C1=CC(=CC=C1C(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)5-1-2-6(4-3-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H

InChI Key

YTJDSANDEZLYOU-UHFFFAOYSA-N

Boiling Point

99-100 °C20 mm Hg(lit.)

Melting Point

83-85

Flash Point

100°C/20mm

Purity

>97.0%(GC)

Density

1.638g/cm3

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

4.3

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

418

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

The molarity calculator equation

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

Mass

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Concentration _(final)

Volume _(final)

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1,4-Benzenedimethanol, a1,a1,a4,a4-tetrakis(trifluoromethyl)-

Product Information

Safety Information

Computed Properties

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