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α,α,α',α'-Tetrabromo-o-xylene

α,α,α',α'-Tetrabromo-o-xylene - CAS 13209-15-9

Catalog:	BB007538
Product Name:	α,α,α',α'-Tetrabromo-o-xylene
CAS:	13209-15-9
Synonyms:	1,2-bis(dibromomethyl)benzene

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Computed Properties

IUPAC Name:	1,2-bis(dibromomethyl)benzene
Description:	α,α,α',α'-Tetrabromo-o-xylene (CAS# 13209-15-9) is a useful research chemical compound.
Molecular Weight:	421.75
Molecular Formula:	C8H6Br4
Canonical SMILES:	C1=CC=C(C(=C1)C(Br)Br)C(Br)Br
InChI:	InChI=1S/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H
InChI Key:	LNAOKZKISWEZNY-UHFFFAOYSA-N
Boiling Point:	343.9 °C at 760 mmHg
Melting Point:	114-118 °C
Purity:	95 %
Density:	2.392 g/cm³
Appearance:	Off-white to grey crystalline powder
Storage:	Store below 30 °C.
MDL:	MFCD00000131
LogP:	5.26340

Publication Number	Title	Priority Date
KR-20210119004-A	Compound for organic electronic element having benzocyclobutene functional group for cross-linked bond, organic electronic element using the same, and an electronic device thereof	20200323
KR-20210114715-A	Compound for organic electronic element having benzocyclobutene functional group for cross-linked bond, organic electronic element using the same, and an electronic device thereof	20200311
KR-20210112907-A	Compound for organic electronic element having benzocyclobutene functional group for cross-linked bond, organic electronic element using the same, and an electronic device thereof	20200306
KR-20210109968-A	Compound for organic electronic element having benzocyclobutene functional group for cross-linked bond, organic electronic element using the same, and an electronic device thereof	20200228
US-2017153560-A1	Naphthalenedicarboximide derivative and electrophotographic photosensitive member	20151130

PMID	Publication Date	Title	Journal
22259552	20120101	1,2-Bis(dibromo-meth-yl)benzene	Acta crystallographica. Section E, Structure reports online
22629200	20120101	Synthesis of new bitopic tetra(pyrazolyl)-ligands with neopentane and O-xylene backbones	TheScientificWorldJournal

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	421.71620
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	417.72030
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8