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2,5-Dichloro-2,5-dimethylhexane

2,5-Dichloro-2,5-dimethylhexane - CAS 6223-78-5

Catalog:	BB031474
Product Name:	2,5-Dichloro-2,5-dimethylhexane
CAS:	6223-78-5
Synonyms:	2,5-dichloro-2,5-dimethylhexane; 2,5-dichloro-2,5-dimethylhexane

Technical Data

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Computed Properties

IUPAC Name:	2,5-dichloro-2,5-dimethylhexane
Description:	2,5-Dichloro-2,5-dimethylhexane (CAS# 6223-78-5) is a useful reagent for the preparation of substituted bis-2-indenyl metallocene compounds as catalysts for olefin polymerization.
Molecular Weight:	183.12
Molecular Formula:	C8H16Cl2
Canonical SMILES:	CC(C)(CCC(C)(C)Cl)Cl
InChI:	InChI=1S/C8H16Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H2,1-4H3
InChI Key:	HSTAGCWQAIXJQM-UHFFFAOYSA-N
Boiling Point:	194 °C at 760 mmHg
Density:	0.998 g/cm³
MDL:	MFCD00126854
LogP:	3.80140

Publication Number	Title	Priority Date
CN-112479918-A	Synthetic method of retinoid derivative Am580	20201211
WO-2021127404-A1	Tricyclic pyridones and pyrimidones	20191220
CN-113348172-A	Compound and organic light emitting device including the same	20191129
KR-20210067843-A	Compound and organic light emitting device comprising same	20191129
KR-20210067940-A	Compound and organic light emitting device comprising same	20191129

PMID	Publication Date	Title	Journal
11511251	20010824	Synthesis of novel retinoid X receptor-selective retinoids	The Journal of organic chemistry

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GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	91.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.0629059
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.0629059
Rotatable Bond Count:	3
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4