2,3,5,6-Tetrafluoro-1,4-benzenedimethanol

Inquiry

Molecular Formula:

C8H6F4O2

Molecular Weight:

210.13

CAS Number:

92339-07-6

Catalog Number:

92339-07-6

Product Information

Molecular Formula:

C8H6F4O2

Molecular Weight:

210.13

Description

2,3,5,6-Tetrafluoro-1,4-benzenedimethanol (CAS# 92339-07-6) is a useful research chemical.

Synonyms

[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol; [2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol

IUPAC Name

[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol

Canonical SMILES

C(C1=C(C(=C(C(=C1F)F)CO)F)F)O

InChI

InChI=1S/C8H6F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h13-14H,1-2H2

InChI Key

SDHKGYDQOGCLQM-UHFFFAOYSA-N

Boiling Point

256.0±35.0 °C (Predicted)

Melting Point

127.0 to 131.0 °C

Purity

> 97.0 % (GC)

Density

1.569±0.06 g/cm³(Predicted)

Appearance

White to almost white powder to crystal

LogP

1.22760

Safety Information

Precautionary Statement

P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501

Signal Word

Warning

Computed Properties

XLogP3

0.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

210.03039208 g/mol

Monoisotopic Mass

210.03039208 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

156

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

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