Basic information
- CAS
3674-66-6- Standard SMILES
Cc1ccc2c(ccc3cccc(C)c32)c1- InChIKey
ANBPQRLLOPVKIG-UHFFFAOYSA-N- Molecular formula
- C16H14
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.10955045
Names & identifiers
- Preferred name
- 2,5-Dimethylphenanthrene
- IUPAC
- 2,5-dimethylphenanthrene
- English name
- 2,5-Dimethylphenanthrene
- Molecular formula
- C16H14
- Molecular weight
- 206.28
Names & synonyms
2,5-DimethylphenanthrenePhenanthrene, 2,5-dimethyl-5VDC4XL0HS2,5-Dimethyl-phenanthreneUNII-5VDC4XL0HSDTXSID60190198RefChem:82966DTXCID70112689ANBPQRLLOPVKIG-UHFFFAOYSA-N3674-66-6SCHEMBL597732DB-239547
Show more names
PHENANTHRENE,2,5-DIMETHYL-2,5-Dimethylphenanthrene in isooctane2,5/2,7-Dimethylphenanthrene (60/40%)
NS00076518
Database identifiers
- CAS
3674-66-6- PubChem CID
- 77244
- DTXSID
DTXSID60190198- UNII
- 5VDC4XL0HS
- Nikkaji
- J101.671G
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
- 16
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
PolymersPolycyclic aromatic hydrocarbon
Physicochemical properties
- Melting point
- 100.48 °C · 100.48°C (estimate)
- Boiling point
- 370.14 °C · 370.14°C (rough estimate)
- Density
- 1.0426 · 1.0426 (estimate)
- refractive index
- 1.6582 · 1.6582 (estimate)
- FDA UNII
- 5 VDC4XL0HS · 5VDC4XL0HS
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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