Decafluorobiphenyl - CAS 434-90-2

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

Catalog:	BB025418
Product Name:	Decafluorobiphenyl
CAS:	434-90-2
Synonyms:	1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene

Technical Data

IUPAC Name:	1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
Description:	Decafluorobiphenyl (CAS# 434-90-2) is used for step−growth polymers synthesis (1).
Molecular Weight:	334.11
Molecular Formula:	C12F10
Canonical SMILES:	C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F
InChI:	InChI=1S/C12F10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
InChI Key:	ONUFSRWQCKNVSL-UHFFFAOYSA-N
Boiling Point:	206 °C
Melting Point:	66-70 °C
Density:	1.785 g/cm³
Appearance:	White crystals or powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00000292
LogP:	4.74460

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22041689	20111228	Supramolecular assemblies of dimolybdenum transoids built by Mo2-enhanced perfluorophenyl-perfluorophenyl synthons	Dalton transactions (Cambridge, England : 2003)
20866091	20101018	New insights into the factors that govern the square/triangle equilibria of Pd(II) and Pt(II) supramolecules. Unexpected participation of a mononuclear species in the equilibrium	Inorganic chemistry
20491452	20100601	Poly(arylene ether)s containing superacid groups as proton exchange membranes	ACS applied materials & interfaces
18588290	20080723	C-F activation of fluorinated arenes using NHC-stabilized nickel(0) complexes: selectivity and mechanistic investigations	Journal of the American Chemical Society
18052354	20071227	Fluorinated diphenylpolyenes: crystal structures and emission properties	The journal of physical chemistry. A

Complexity:	326
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	333.98403162
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	10
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	333.98403162
Rotatable Bond Count:	1
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6