Pentafluorobenzene - CAS 363-72-4

Name: Pentafluorobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1,2,3,4,5-pentafluorobenzene
Description:	Pentafluorobenzene (CAS# 363-72-4) is a fluorinated benzene with anesthetic properties (1). Pentafluorobenzene has been shown to potently and reversibly inhibited human α4β2 neuronal nicotinic acetylcholine receptor dependent on drug hydrophobicity in Xenopus laevis oocyte.
Molecular Weight:	168.06
Molecular Formula:	C6HF5
Canonical SMILES:	C1=C(C(=C(C(=C1F)F)F)F)F
InChI:	InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChI Key:	WACNXHCZHTVBJM-UHFFFAOYSA-N
Boiling Point:	85 °C
Density:	1.514 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00000286
LogP:	2.38210
Vapor Pressure:	67.6 [mmHg]

GHS Hazard Statement:	H225 (95.45%): Highly Flammable liquid and vapor [Danger Flammable liquids]; H302 (86.36%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501
Signal Word:	Danger

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WO-2021079679-A1	Photosensitive resin composition, photosensitive dry film, and pattern formation method	20191021
US-2021107999-A1	Methods of treating an eye disorder	20191010

PMID	Publication Date	Title	Journal
22771503	20121101	Simultaneous quantification of four vitamin D metabolites in human serum using high performance liquid chromatography tandem mass spectrometry for vitamin D profiling	Clinical biochemistry
23001940	20121101	Ionic liquid-based microwave-assisted extraction for the determination of flavonoid glycosides in pigeon pea leaves by high-performance liquid chromatography-diode array detector with pentafluorophenyl column	Journal of separation science
22967541	20120915	New fluorescent pH sensors based on covalently linkable PET rhodamines	Talanta
22771069	20120817	A core-shell column approach to a comprehensive high-performance liquid chromatography phenolic analysis of Vitis vinifera L. and interspecific hybrid grape juices, wines, and other matrices following either solid phase extraction or direct injection	Journal of chromatography. A
22495289	20120714	A mechanistic investigation of carbon-hydrogen bond stannylation: synthesis and characterization of nickel catalysts	Dalton transactions (Cambridge, England : 2003)

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.99984084
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.99984084
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5