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2,2,3,3,4,4-Hexafluoro-1,5-pentanediol

2,2,3,3,4,4-Hexafluoro-1,5-pentanediol

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

Inquiry

Molecular Formula:

C5H6F6O2

Molecular Weight:

212.09

CAS Number:

376-90-9

Catalog Number:

376-90-9

Product Information

Molecular Formula:

C5H6F6O2

Molecular Weight:

212.09

Description

2,2,3,3,4,4-Hexafluoro-1,5-pentanediol (CAS# 376-90-9) is a useful research chemical.

Synonyms

2,2,3,3,4,4-hexafluoropentane-1,5-diol

IUPAC Name

2,2,3,3,4,4-hexafluoropentane-1,5-diol

Canonical SMILES

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

InChI

InChI=1S/C5H6F6O2/c6-3(7,1-12)5(10,11)4(8,9)2-13/h12-13H,1-2H2

InChI Key

IELVMUPSWDZWSD-UHFFFAOYSA-N

Boiling Point

111.5 °C10 mmHg (lit.)

Melting Point

78-81 °C (lit.)

Flash Point

>110°C

Purity

99 %

Density

1.526 g/cm³

Appearance

White crystalline powder

LogP

0.87690

Safety Information

Hazards

H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Signal Word

Warning

Computed Properties

XLogP3

0.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

212.02719840 g/mol

Monoisotopic Mass

212.02719840 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

162

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
19652321	2009-08-01	Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol	Acta crystallographica. Section C, Crystal structure communications
16851108	2005-02-03	Thermotropic properties of organic nanocrystals embedded in ultrasmall crystallization chambers	The journal of physical chemistry. B

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