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About This Item
Empirical Formula (Hill Notation):
C16H16
CAS Number:
Molecular Weight:
208.30
Beilstein/REAXYS Number:
2048996
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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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
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Application
Important intermediate for the synthesis of polycyclic hydrocarbons.
Storage Class
13 - Non Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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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)
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