3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol, 95%

Name: 3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol
Brand: Chempure

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CAS Number

2043-47-2

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IUPAC name	3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol
canonical smiles	C(CO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
inchi	InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
inchi key	JCMNMOBHVPONLD-UHFFFAOYSA-N
molecular formula	C4F9CH2CH2OH
synonyms	1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro- 2043-47-2 1H,1H,2H,2H-Perfluorohexan-1-ol 3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol 2-(Perfluorobutyl)ethanol

Computed Properties

Molecular Weight:	264.09 g/mol
XLogP3:	3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	10
Rotatable Bond Count:	4
Exact Mass:	264.01966824 g/mol
Monoisotopic Mass:	264.01966824 g/mol
Topological Polar Surface Area:	20.2 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	243
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

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (33.33%) Skin Irrit. 2 (66.67%) Eye Irrit. 2 (66.67%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.67%): 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]

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Product No: BR4456

3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol, 95%

Product No: BR4456

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