1,2,3,4,5-Pentamethylcyclopentadiene

ALDRICH/214027 - 95%

Synonym: 1,2,3,4,5-Pentamethyl-1,3-cyclopentadiene

CAS Number: 4045-44-7
Empirical Formula (Hill Notation): C₁₀H₁₆
Molecular Weight: 136.23
EC Number: 223-743-4
MDL Number: MFCD00001354
Linear Formula: C₁₀H₁₆
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-214027-5G	5 g	$178.00 1/EA		Add To Favorites
45-214027-25G	25 g	$508.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	95%
bp	58 °C/13 mmHg (lit.)
density	0.87 g/mL at 25 °C (lit.)
InChI	1S/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3
InChI key	WQIQNKQYEUMPBM-UHFFFAOYSA-N
Quality Level	200
refractive index	n20/D 1.474 (lit.)
SMILES string	CC1C(C)=C(C)C(C)=C1C

Application:	1,2,3,4,5-pentamethylcyclopentadiene was used as: • Growth modifier chemical, during metal organic chemical vapour deposition of iron from iron pentacarbonyl. • Ligand in "one-pot" iridium-catalyzed transformation of alcohols to amides via the intermediacy of oximes. • Raw material for the synthesis of [CpRh(bpy)H₂O]²⁺ (Cp = pentamethylcyclopentadienyl, bpy = 2,2′-bipyridyl), an electron mediator in the regeneration process of NADH.
General description:	Mechanism of the Diels-Alder reaction of paramagneticendohedral metallofullerene and 1,2,3,4,5-pentamethylcyclopentadiene has been studied. Three-step large-scale preparation of 1,2,3,4,5-pentamethylcyclopentadiene has been reported. Reaction of 1,2,3,4,5-pentamethylcyclopentadiene (HCp*) with actinide ions in gas phase has been investigated by laser ablation mass spectrometry. It undergoes radical cation catalyzed cycloaddition with electron rich allenes to form Diels-Alder product.
Packaging:	5, 25 g in glass bottle

Symbol	GHS02
Signal word	Warning
Hazard statements	H226
Risk Statements	10
RIDADR	UN 3295C 3 / PGIII
WGK Germany	WGK 3
Flash Point(F)	111.2 °F - closed cup
Flash Point(C)	44 °C - closed cup

Purity	95%
bp	58 °C/13 mmHg (lit.)
Density	0.87 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.474 (lit.)
UNSPSC	12352100

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