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Merck
CN

H9605

1,2,3,6,7,8-Hexahydropyrene

97%

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About This Item

Empirical Formula (Hill Notation):
C16H16
CAS Number:
Molecular Weight:
208.30
EC Number:
217-061-6
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
2048996
MDL number:
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assay

97%

mp

130-134 °C (lit.)

SMILES string

C1Cc2ccc3CCCc4ccc(C1)c2c34

InChI

1S/C16H16/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7-10H,1-6H2

InChI key

MBAIEZXRGAOPKH-UHFFFAOYSA-N

Application

Important intermediate for the synthesis of polycyclic hydrocarbons.


Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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A J Dobson et al.
Acta crystallographica. Section C, Crystal structure communications, 52 ( Pt 12), 3086-3088 (1996-12-15)
In 1,2,3,6,7,8-hexahydropyrene, C16H16, the unsaturated rings lie essentially in a plane, the r.m.s. deviation of the atoms defining this plane form the best-fit plane being 0.006 (2) A. The saturated rings are substantially non-planar, but the character of the non-planarity
Journal of the American Chemical Society, 111, 4285-4285 (1989)