1,3-Cycloheptadiene

ALDRICH/157996 - 95%

CAS Number: 4054-38-0
Empirical Formula (Hill Notation): C₇H₁₀
Molecular Weight: 94.15
EC Number: 223-762-8
MDL Number: MFCD00004155
Linear Formula: C₇H₁₀
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-157996-1G	1 g	$401.00 1/EA		Add To Favorites
45-157996-5G	5 g	$451.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	95%
bp	120-121 °C (lit.)
density	0.868 g/mL at 25 °C (lit.)
impurities	≤3% cycloheptatriene
InChI	1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
InChI key	GWYPDXLJACEENP-UHFFFAOYSA-N
refractive index	n20/D 1.498 (lit.)
SMILES string	C1CC=CC=CC1
storage temp.	2-8°C

Application:	1,3-Cycloheptadiene was used in the preparation of enantiopure epoxy cycloheptenyl sulfones.
General description:	1,3-Cycloheptadiene is a 1,3-cycloalkadiene. Isomerization of highly strained (E,E)-1,3-cycloheptadiene was investigated through double bond rotation, and electrocyclic ring closure. [1,5] Sigmatropic hydrogen shifts in 1,3-cyclohepatdiene were studied by density functional calculations.
Packaging:	1, 5 g in ampule

Symbol	GHS02,GHS08
Signal word	Danger
Hazard statements	H225 - H304
Precautionary statements	P210 - P301 + P310 + P331
Hazard Codes	F,Xn
Risk Statements	11-65
Safety Statements	16-23-24/25-62
RIDADR	UN 3295BF 3 / PGII
WGK Germany	WGK 3
Flash Point(F)	51.8 °F - closed cup
Flash Point(C)	11 °C - closed cup

Purity	95%
bp	120-121 °C (lit.)
Density	0.868 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.498 (lit.)
Storage Temp.	2-8°C
UNSPSC	12352100

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