4-Bromo-1,2,3,6,7,8-hexahydropyrene
Basic information
- CAS
1732-25-8- Standard SMILES
Brc1cc2c3c(ccc4c3c1CCC4)CCC2- InChIKey
SIJTUAANVIVBQW-UHFFFAOYSA-N- Molecular formula
- C16H15Br
- Average molar mass
- 287.19 g/mol
- Monoisotopic mass
- 286.03571
Names & identifiers
- Preferred name
- 4-Bromo-1,2,3,6,7,8-hexahydropyrene
- IUPAC
- 4-bromo-1,2,3,6,7,8-hexahydropyrene
- English name
- 4-Bromo-1,2,3,6,7,8-hexahydropyrene
- Molecular formula
- C16H15Br
- Molecular weight
- 287.19
Names & synonyms
4-bromo-1,2,3,6,7,8-hexahydropyrene1732-25-8DTXSID30347753RefChem:290410DTXCID60298825Pyrene, 4-bromo-1,2,3,6,7,8-hexahydro-MFCD01571021Pyrene, 1,2,3,6,7,8-hexahydro-4-bromo-SCHEMBL6437734SIJTUAANVIVBQW-UHFFFAOYSA-NAKOS037645795AS-63607
Show more names
SY055810B5129CS-0320825F723492
Database identifiers
- CAS
1732-25-8- PubChem CID
- 625451
- DTXSID
DTXSID30347753- Nikkaji
- J1.530.854K
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 127 to · 127.0 to 131.0 °C
- Boiling point
- 446.9 · 446.9±34.0 °C(Predicted)
- Density
- 1.451 · 1.451±0.06 g/cm3(Predicted)
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- White to Light yellow
- HS Code
- 2903.99 · 2903.99.8001
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2903.99.8001
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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