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2,2,3,3-Tetrafluoro-1,4-butanediol

2,2,3,3-Tetrafluoro-1,4-butanediol

Name: 2,2,3,3-Tetrafluoro-1,4-butanediol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C4H6F4O2

Molecular Weight:

162.08

CAS Number:

425-61-6

Catalog Number:

425-61-6

Product Information

Molecular Formula:

C4H6F4O2

Molecular Weight:

162.08

Description

2,2,3,3-Tetrafluoro-1,4-butanediol (CAS# 425-61-6) is a useful research chemical.

Synonyms

2,2,3,3-tetrafluorobutane-1,4-diol

IUPAC Name

2,2,3,3-tetrafluorobutane-1,4-diol

Canonical SMILES

C(C(C(CO)(F)F)(F)F)O

InChI

InChI=1S/C4H6F4O2/c5-3(6,1-9)4(7,8)2-10/h9-10H,1-2H2

InChI Key

CDZXJJOGDCLNKX-UHFFFAOYSA-N

Boiling Point

110-112 °C13 mmHg (lit.)

Melting Point

77-82 °C (lit.)

Flash Point

110-112°C/13mm

Purity

> 95.0 % (GC)

Density

1.454 g/cm³

Appearance

White crystalline powder

LogP

0.24160

Safety Information

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

0.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

162.03039208 g/mol

Monoisotopic Mass

162.03039208 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

99.8

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

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Literatures

PMID	Publication Date	Title	Journal
21581676	2008-12-06	2,2,3,3-Tetra-fluoro-butane-1,4-diol	Acta crystallographica. Section E, Structure reports online
16771343	2006-06-08	Alpha-helix formation in melittin and beta-lactoglobulin A induced by fluorinated dialcohols	The journal of physical chemistry. B
15748820	2005-04-10	Effect of soft segment length on properties of fluorinated polyurethanes	Colloids and surfaces. B, Biointerfaces
15461183	2004-01-01	Properties of phospholipid monolayer deposited on a fluorinated polyurethane	Journal of biomaterials science. Polymer edition
16290591	2002-05-01	Synthesis and surface properties of environmentally responsive segmented polyurethanes	Journal of colloid and interface science