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1,2,3,4,5-Pentamethylcyclopentadiene

1,2,3,4,5-Pentamethylcyclopentadiene - CAS 4045-44-7

Catalog:	BB024508
Product Name:	1,2,3,4,5-Pentamethylcyclopentadiene
CAS:	4045-44-7
Synonyms:	1,2,3,4,5-pentamethylcyclopenta-1,3-diene

Technical Data

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Computed Properties

IUPAC Name:	1,2,3,4,5-pentamethylcyclopenta-1,3-diene
Description:	1,2,3,4,5-Pentamethylcyclopentadiene (CAS# 4045-44-7) is a useful research chemical.
Molecular Weight:	136.23
Molecular Formula:	C10H16
Canonical SMILES:	CC1C(=C(C(=C1C)C)C)C
InChI:	InChI=1S/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3
InChI Key:	WQIQNKQYEUMPBM-UHFFFAOYSA-N
Boiling Point:	58 °C (13 mmHg)
Melting Point:	236 °C
Purity:	95 %
Density:	0.87 g/cm³
Appearance:	Clear colorless to yellowish liquid
Storage:	-20 °C
MDL:	MFCD00001354
LogP:	3.30890

Publication Number	Title	Priority Date
CN-113477268-A	Preparation method of rhodium-loaded quantum dot self-modified carbon nitride nanosheet	20210628
CN-113201029-A	Organic transition metal compound, preparation method thereof and method for forming transition metal-containing thin film	20210423
CN-113087742-A	Phosphine chiral center containing compound, organic transition metal complex and preparation method thereof	20210406
CN-112961093-A	Method for reducing C = C double bond of nitroolefin with high selectivity	20210222
CN-112250709-A	Synthesis method of ortho-aryl substituted tertiary phosphine compound	20201022

PMID	Publication Date	Title	Journal
22356450	20120305	Series of lanthanide organometallic single-ion magnets	Inorganic chemistry
22058857	20110901	(η-Isopropyl N-phenyl-carbamate)(η-penta-methyl-cyclo-penta-dien-yl)ruthenium(II) tetra-phenyl-borate acetone monosolvate	Acta crystallographica. Section E, Structure reports online
20333331	20100414	Counterion-dependent deuteration of pentamethylcyclopentadiene in water-soluble cationic Rh(III) complexes assisted by PTA	Dalton transactions (Cambridge, England : 2003)
20225838	20100408	Ultrafast curve crossing dynamics through conical intersections in methylated cyclopentadienes	The journal of physical chemistry. A
20192202	20100401	Substituent effects on dynamics at conical intersections: cyclopentadienes	The journal of physical chemistry. A

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GHS Hazard Statement:	H226 (98.11%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.125200510
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	136.125200510
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9