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4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylthio)phenol

4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylthio)phenol - CAS 892155-19-0

Catalog:	BB039381
Product Name:	4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylthio)phenol
CAS:	892155-19-0
Synonyms:	4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)phenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)phenol
Description:	4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylthio)phenol (CAS# 892155-19-0 ) is a useful research chemical.
Molecular Weight:	472.26
Molecular Formula:	C14H9F13OS
Canonical SMILES:	C1=CC(=CC=C1O)SCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:	InChI=1S/C14H9F13OS/c15-9(16,5-6-29-8-3-1-7(28)2-4-8)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h1-4,28H,5-6H2
InChI Key:	CFPZGZWDWLUKFW-UHFFFAOYSA-N
LogP:	6.61320

Publication Number	Title	Priority Date
JP-2011246678-A	Gelling agent and gel	20100531
JP-2011249271-A	Electrolyte and lithium ion secondary battery	20100531
JP-5574417-B2	Electrolyte and lithium ion secondary battery	20100531
JP-5618287-B2	Gelling agent and gel	20100531
CA-2704204-A1	Liquid, fluorine-containing and single-component composition	20080201

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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:	552
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	472.0166522
Formal Charge:	0
Heavy Atom Count:	29
Hydrogen Bond Acceptor Count:	15
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	472.0166522
Rotatable Bond Count:	8
Topological Polar Surface Area:	45.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.9