2,2,3,3,4,4-Hexafluoro-1,5-pentanediol - CAS 376-90-9
Catalog: |
BB023391 |
Product Name: |
2,2,3,3,4,4-Hexafluoro-1,5-pentanediol |
CAS: |
376-90-9 |
Synonyms: |
2,2,3,3,4,4-hexafluoropentane-1,5-diol |
IUPAC Name: | 2,2,3,3,4,4-hexafluoropentane-1,5-diol |
Description: | 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol (CAS# 376-90-9) is a useful research chemical. |
Molecular Weight: | 212.09 |
Molecular Formula: | C5H6F6O2 |
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 ℃10 mmHg (lit.) |
Melting Point: | 78-81 ℃ (lit.) |
Flash Point: | >110°C |
Purity: | 99 % |
Density: | 1.526 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00042434 |
LogP: | 0.87690 |
GHS Hazard Statement: | H302 (97.83%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (17.39%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (17.39%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (19.57%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 |
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PMID | Publication Date | Title | Journal |
19652321 | 20090801 | Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol | Acta crystallographica. Section C, Crystal structure communications |
16851108 | 20050203 | Thermotropic properties of organic nanocrystals embedded in ultrasmall crystallization chambers | The journal of physical chemistry. B |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0271984 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0271984 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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