1-(Perfluorohexyl)octane - CAS 133331-77-8
Catalog: |
BB054188 |
Product Name: |
1-(Perfluorohexyl)octane |
CAS: |
133331-77-8 |
Synonyms: |
1-(Tridecafluorohexyl)octane; Perfluorohexyloctane; Tetradecane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-; 8-(Perfluorohexyl)octane; F 6H8; 1-(Tridecafluorohex-1-yl)octane |
IUPAC Name: | 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane |
Molecular Weight: | 432.26 |
Molecular Formula: | C14H17F13 |
Canonical SMILES: | CCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
InChI: | InChI=1S/C14H17F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-8H2,1H3 |
InChI Key: | WRYIIOKOQSICTB-UHFFFAOYSA-N |
Boiling Point: | 253.6±8.0°C at 760 mmHg |
Melting Point: | 4.96°C |
Purity: | 95% |
Density: | 1.331±0.1 g/cm3 |
Appearance: | Liquid |
Storage: | Store at RT |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 464 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 432.1122666 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 13 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 432.1122666 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.7 |
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