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1,2,3,4,5,6-Hexakis(triprotiomethyl)benzene
[CAS 4342-40-9]

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Identification
Name 1,2,3,4,5,6-Hexakis(triprotiomethyl)benzene
Synonyms Hexamethylbenzene, Deuterated
Molecular Structure CAS#: 4342-40-9, 1,2,3,4,5,6-Hexakis(triprotiomethyl)benzene
Molecular Formula C12H18
Molecular Weight 162.27
CAS Registry Number 4342-40-9
SMILES CC1=C(C(=C(C(=C1C)C)C)C)C
InChI 1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3/i1H3,2H3,3H3,4H3,5H3,6H3
InChIKey YUWFEBAXEOLKSG-JWKYYHOESA-N
Properties
Density 0.9±0.1g/cm3 (Cal.)
1.063 (Expl.)
Melting point 165°C (Expl.)
Boiling point 265°C (Expl.)
256.6±35.0°C at 760 mmHg (Cal.)
Flash point 104.3±14.5°C (Cal.)
solubility Insoluble in water
Safety Data
Safety Description WARNING: Irreversible damage risk, protect skin/eyes/lungs.
SDS Available
References
(1) E. L. Willighagen, H. M. G. W. Denissen, R. Wehrens, and L. M. C. Buydens. On the Use of 1H and 13C 1D NMR Spectra as QSPR Descriptors, J. Chem. Inf. Model., 46 (2), 487-494, 2006
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