1,2,3,6,7,8-Hexahydropyrene
Basic information
- CAS
1732-13-4- Standard SMILES
c1cc2c3c(ccc4c3c1CCC4)CCC2- InChIKey
MBAIEZXRGAOPKH-UHFFFAOYSA-N- Molecular formula
- C16H16
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.12520051
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,2,3,6,7,8-Hexahydropyrene
- IUPAC
- 1,2,3,6,7,8-hexahydropyrene
- English name
- 1,2,3,6,7,8-Hexahydropyrene
- Molecular formula
- C16H16
- Molecular weight
- 208.3
Names & synonyms
1,2,3,6,7,8-HEXAHYDROPYRENE1732-13-4Pyrene, 1,2,3,6,7,8-hexahydro-sym-HexahydropyreneX8B2RZG0YMDTXSID60169541NSC-60599RefChem:71356DTXCID5092032217-061-6MFCD00010584EINECS 217-061-6
Show more names
DK7348pyrene,1,2,3,6,7,8-hexahydro-1,2,3,6,7,8-Hexahydropyrene>1,2,3,6,7,8-Hexahydropyrene,98%1,2,3,6,7,8-HEXAHYDROPYRENE 98%1,2,3,6,7,8-Hexahydropyrene in toluene1,2,3,6,7,8-Hexahydropyrene Solution in Toluene
NSC 605991,3,6,7,8-Hexahydropyrene1,2,3,6,7,8-Hexahydropyrene, 97%AS-60038CS-0110354T71921Q27293684UNII-X8B2RZG0YM
Database identifiers
- CAS
1732-13-4- PubChem CID
- 74417
- DTXSID
DTXSID60169541- UNII
- X8B2RZG0YM
- EC Number
- 217-061-6
- Nikkaji
- J149.840A
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials PropertiesAngular frequency
Physical DescriptionBeige crystalline solid; [Aldrich MSDS]
Physicochemical properties
- Melting point
- 130 · 130-134 °C(lit.)
- Boiling point
- 282.51 °C · 282.51°C (rough estimate)
- Density
- 1.0102 · 1.0102 (estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- color
- Off-White
- Water Solubility
- 229.1 ug/L · 229.1ug/L(4 ºC)
- FDA UNII
- 8 B2RZG0YM · X8B2RZG0YM
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryMay cause irritation; [Aldrich MSDS] See Pyrene. See POLYCYCLIC AROMATIC HYDROCARBONS.
Safety data
- wgk
- 3
- hs_code
- 2902900000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
Uses1,2,3,6,7,8-Hexahydropyrene is used as a reagent or building block in the chemical synthesis of many polycyclic hydrocarbons. In particular, it is used in the synthesis of novel pyrene-fused chromophores which can be used in electroluminescence (EL) devices with very high efficiency.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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