2,2,3,3,4,4-Hexafluoro-1,5-pentanediol
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
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.
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.
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
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
4
Exact Mass
212.02719840 g/mol
Monoisotopic Mass
212.02719840 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
162
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114043914-A | Automobile carpet with composite fiber structure and preparation method thereof | 2021-11-29 |
| CN-114149576-A | Fluorine-containing polycarbonate diol and preparation method thereof | 2021-11-26 |
| CN-113150658-A | Corrosion-resistant weather-resistant flame-retardant polyester resin for powder coating | 2021-05-08 |
| CN-112961334-A | Polyester resin for corrosion-resistant weather-resistant high-storage-performance powder coating | 2021-04-25 |
| CN-113136080-A | Low-temperature-resistant high-strength high-toughness modified fluororubber semi-interpenetrating network film material and preparation method thereof | 2021-04-21 |
| CN-113121788-A | High-strength high-toughness fluorine-containing polyurethane and preparation method thereof | 2021-04-20 |
| CN-113150246-A | Fluorine-containing epoxy resin curing agent and preparation method thereof | 2021-04-19 |
| CN-112852267-A | Single-component antifouling corrosion-resistant coating and preparation method thereof | 2021-01-18 |
| CN-112876938-A | Antifouling corrosion-resistant epoxy coating and preparation method thereof | 2021-01-18 |
| CN-112876939-A | Steel anti-corrosion coating and preparation method thereof | 2021-01-18 |
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 |
