4-(3,3,4,4,5,5,6,6,6-Nonafluorohexylthio)phenol - CAS 892155-14-5
Catalog: |
BB039380 |
Product Name: |
4-(3,3,4,4,5,5,6,6,6-Nonafluorohexylthio)phenol |
CAS: |
892155-14-5 |
Synonyms: |
4-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)phenol |
IUPAC Name: | 4-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)phenol |
Description: | 4-(3,3,4,4,5,5,6,6,6-Nonafluorohexylthio)phenol (CAS# 892155-14-5 ) is a useful research chemical. |
Molecular Weight: | 372.25 |
Molecular Formula: | C12H9F9OS |
Canonical SMILES: | C1=CC(=CC=C1O)SCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
InChI: | InChI=1S/C12H9F9OS/c13-9(14,10(15,16)11(17,18)12(19,20)21)5-6-23-8-3-1-7(22)2-4-8/h1-4,22H,5-6H2 |
InChI Key: | APYSALHUWCFHHV-UHFFFAOYSA-N |
LogP: | 5.34260 |
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]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P264, P264+P265, P271, P273, 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: | 389 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 372.02303954 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 11 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 372.02303954 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 45.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.6 |
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