Basic information
- CAS
4466-77-7- Standard SMILES
Cc1c(C)c(C)c2c(ccc3ccccc32)c1C- InChIKey
OGWJPJREDQYLQD-UHFFFAOYSA-N- Molecular formula
- C18H18
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.14085057
Names & identifiers
- Preferred name
- 1,2,3,4-Tetramethylphenanthrene
- IUPAC
- 1,2,3,4-tetramethylphenanthrene
- English name
- TETRAMETHYLPHENANTHRENE
- Molecular formula
- C18H18
- Molecular weight
- 234.34
Names & synonyms
1,2,3,4-TetramethylphenanthreneBRN 2097713Phenanthrene, 1,2,3,4-tetramethyl-DTXSID00754454-05-00-02372 (Beilstein Handbook Reference)RefChem:214540DTXCID80403514466-77-7TETRAMETHYLPHENANTHRENESCHEMBL15412953
Database identifiers
- CAS
4466-77-7- PubChem CID
- 20537
- DTXSID
DTXSID0075445- Nikkaji
- J34.539C
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
- 18
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Melting point
- 92.5 °C · 92.5°C
- Boiling point
- 401.66 °C · 401.66°C (rough estimate)
- Density
- 1.0157 · 1.0157 (estimate)
- refractive index
- 1.6582 · 1.6582 (estimate)
- EPA Substance Registry System
- 1 · 1,2,3,4-Tetramethylphenanthrene (4466-77-7)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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