1,3-Cyclohexadiene

ALDRICH/C100005 - contains 0.05% BHT as inhibitor, 97%

Synonym: 1,2-Dihydrobenzene

CAS Number: 592-57-4
Empirical Formula (Hill Notation): C₆H₈
Molecular Weight: 80.13
EC Number: 209-764-1
MDL Number: MFCD00001532
Linear Formula: C₆H₈
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-C100005-5ML	5 mL	$67.80 1/EA	Add To Favorites
45-C100005-25ML	25 mL	$263.00 1/EA	Add To Favorites
45-C100005-100ML	100 mL	$943.00 1/EA	Add To Favorites

FT-IR Spectra for 1,2-Dihydrobenzene.

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
bp	80 °C (lit.)
contains	0.05% BHT as inhibitor
density	0.841 g/mL at 25 °C (lit.)
form	liquid
InChI	1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2
InChI key	MGNZXYYWBUKAII-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.474 (lit.)
SMILES string	C1CC=CC=C1
storage temp.	2-8°C

Application:

1,3-Cyclohexadiene can undergo:
• C-C coupling with aromatic alcohols via iridium-catalyzed hydrogen auto-transfer and with aldehydes via transfer hydrogenation mediated by isopropanol to form carbonyl addition products.
• Living anionic polymerization with n-BuLi/TMEDA system to form polycyclohexadiene.
• Platinum-catalyzed silaboration to form (1R,4S)-1-(dimethylphenylsilyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-cyclohexene.
• Aerobic palladium-catalyzed 1,4-diacetoxylation in the presence of cobalt tetra(hydroquinone)porphyrin as an electron transfer reagent.

Packaging:

5, 25, 100 mL in glass bottle

Symbol	GHS02,GHS07
Signal word	Danger
Hazard statements	H225 - H335
Precautionary statements	P210
Hazard Codes	F
Risk Statements	11
Safety Statements	9-16-29-33
RIDADR	UN 3295BE 3 / PGII
WGK Germany	WGK 3
Flash Point(F)	66.0 °F
Flash Point(C)	18.9 °C

Purity	97%
bp	80 °C (lit.)
Density	0.841 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.474 (lit.)
Storage Temp.	2-8°C
UNSPSC	12352100

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