Pentamethylbromobenzene - CAS 5153-40-2

Catalog:	BB027478
Product Name:	Pentamethylbromobenzene
CAS:	5153-40-2
Synonyms:	1-bromo-2,3,4,5,6-pentamethylbenzene; 1-bromo-2,3,4,5,6-pentamethylbenzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1-bromo-2,3,4,5,6-pentamethylbenzene
Description:	Pentamethylbromobenzene (CAS# 5153-40-2) is a useful research chemical.
Molecular Weight:	227.14
Molecular Formula:	C11H15Br
Canonical SMILES:	CC1=C(C(=C(C(=C1C)C)Br)C)C
InChI:	InChI=1S/C11H15Br/c1-6-7(2)9(4)11(12)10(5)8(6)3/h1-5H3
InChI Key:	XPDQRULPGCFCLX-UHFFFAOYSA-N
Boiling Point:	286.5 °C at 760 mmHg
Density:	1.214 g/cm³
MDL:	MFCD00013523
LogP:	3.99110

Publication Number	Title	Priority Date
CN-111690082-A	Novel metallocene catalyst compound for producing polyolefin resin or method for preparing the same	20190312
EP-3708596-A1	Novel metallocene catalyst compound for production of polyolefin resin or method of preparing same	20190312
KR-102139882-B1	Novel metallocene catalyst compound for the production of polyolefin resin or preparation method thereof	20190312
US-2020291150-A1	Novel metallocene catalyst compound for production of polyolefin resin or method of preparing same	20190312
CA-3041067-A1	Method of preparing a molecular catalyst	20161027

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Related Functional Groups

Halides

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.03571
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.03571
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4