1,2,8-Trimethylphenanthrene
Basic information
- CAS
20291-75-2- Standard SMILES
Cc1ccc2c(ccc3c(C)cccc32)c1C- InChIKey
WWSRSGUHNCVWLP-UHFFFAOYSA-N- Molecular formula
- C17H16
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.12520051
Names & identifiers
- Preferred name
- 1,2,8-Trimethylphenanthrene
- IUPAC
- 1,2,8-trimethylphenanthrene
- English name
- 1,2,8-TRIMETHYLPHENANTHRENE
- Molecular formula
- C17H16
- Molecular weight
- 220.31
Names & synonyms
1,2,8-Trimethylphenanthrene20291-75-2Phenanthrene, 1,2,8-trimethyl-EINECS 243-694-2DTXSID30174167NSC 405727RefChem:71592DTXCID9096658243-694-21,2,8-Trimethyl-phenanthreneNSC-405727NSC405727
Show more names
TRIMETHYLPHENANTHRENE1,2,8-Trimethylphenanthrene in isooctane
D838QZ8UAXPhenanthrene,2,8-trimethyl-SCHEMBL598952WWSRSGUHNCVWLP-UHFFFAOYSA-NMFCD00216240NS00026574
Database identifiers
- CAS
20291-75-2- PubChem CID
- 88469
- DTXSID
DTXSID30174167- UNII
- D838QZ8UAX
- EC Number
- 243-694-2
- Nikkaji
- J280.548K
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 142 · 142-143 °C
- Boiling point
- 120 · 120-140 °C(Press: 0.5 Torr)
- Density
- 1.066 · 1.066±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 838 QZ8UAX · D838QZ8UAX
Chemistry & industry
Applications
Uses1,2,8-Trimethyl-phenanthrene is an isomer of 1,2,6-Trimethylphenanthrene which is a persistent organic pollutant (POP).
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Related reactions
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Compound notes
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