2,3,4,5,6-Pentafluorotoluene - CAS 771-56-2

Catalog:	BB035821
Product Name:	2,3,4,5,6-Pentafluorotoluene
CAS:	771-56-2
Synonyms:	1,2,3,4,5-pentafluoro-6-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1,2,3,4,5-pentafluoro-6-methylbenzene
Description:	2,3,4,5,6-Pentafluorotoluene (CAS# 771-56-2) is a useful research chemical compound.
Molecular Weight:	182.09
Molecular Formula:	C7H3F5
Canonical SMILES:	CC1=C(C(=C(C(=C1F)F)F)F)F
InChI:	InChI=1S/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3
InChI Key:	SXPRVMIZFRCAGC-UHFFFAOYSA-N
Boiling Point:	117 °C
Density:	1.44 g/cm³
Appearance:	Liquid
MDL:	MFCD00000298
LogP:	2.69050

Publication Number	Title	Priority Date
US-2021193938-A1	Organometallic compound, organic light-emitting device including the same and electronic apparatus including the organic light-emitting device	20191224
US-2021179537-A1	Non-Coordinating Anion Type Activators Containing Cation Having Aryldiamine Groups and Uses Thereof	20191216
US-2021171548-A1	Organometallic compound, organic light-emitting device including organometallic compound and electronic apparatus including the organic light-emitting device	20191127
US-2021155647-A1	Organometallic compound, organic light-emitting device including organometallic compound, and diagnostic composition including organometallic compound	20191125
US-2021121863-A1	Catalyst Systems Including Salan Catalyst and Non-Coordinating Anion Type Activator Containing Cation Having Alkyl Groups and uses Thereof	20191028

PMID	Publication Date	Title	Journal
21916491	20111219	11-Oxoeicosatetraenoic acid is a cyclooxygenase-2/15-hydroxyprostaglandin dehydrogenase-derived antiproliferative eicosanoid	Chemical research in toxicology
20812369	20101101	Electron predators are hydrogen atom traps. Effects of aryl groups on N-C(α) bond dissociations of peptide radicals	Journal of mass spectrometry : JMS
18500875	20080521	Quasielastic and inelastic neutron scattering study of methyl group rotation in solid and liquid pentafluoroanisole and pentafluorotoluene	The Journal of chemical physics

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Related Functional Groups

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.01549091
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.01549091
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8