5-Bromo-2-iodo-m-xylene - CAS 206559-43-5

Catalog:	BB016138
Product Name:	5-Bromo-2-iodo-m-xylene
CAS:	206559-43-5
Synonyms:	5-bromo-2-iodo-1,3-dimethylbenzene; 5-bromo-2-iodo-1,3-dimethylbenzene

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-iodo-1,3-dimethylbenzene
Description:	5-Bromo-2-iodo-m-xylene (CAS# 206559-43-5) is a useful research chemical.
Molecular Weight:	310.96
Molecular Formula:	C8H8BrI
Canonical SMILES:	CC1=CC(=CC(=C1I)C)Br
InChI:	InChI=1S/C8H8BrI/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChI Key:	BSIRLLZFIVAHES-UHFFFAOYSA-N
Boiling Point:	282.4 °C at 760 mmHg
Density:	1.94 g/cm³
MDL:	MFCD03094656
LogP:	3.67050

Publication Number	Title	Priority Date
CN-111793087-A	Luminescent material, delayed phosphor and organic light-emitting element	20200515
CN-111088036-A	Fluorescent material, preparation method and application	20191226
JP-2021088665-A	Polymer compounds and light emitting devices using them	20191204
JP-2021089989-A	Composition for light emitting element, film and light emitting element using the same	20191204
WO-2021018826-A1	Cyclic diones as herbicides	20190731

PMID	Publication Date	Title	Journal
21200785	20071206	5-Bromo-2-iodo-1,3-dimethyl-benzene	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	309.88541
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	309.88541
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4