1,4-Dimethylphenanthrene
Completing data — refresh the page later to see the latest
Basic information
- CAS
22349-59-3- Standard SMILES
Cc1ccc(C)c2c1ccc1ccccc12- InChIKey
DWMAJXVIIUYYOH-UHFFFAOYSA-N- Molecular formula
- C16H14
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.10955045
Overview
1,4-Dimethylphenanthrene is a member of phenanthrenes.
Names & identifiers
- Preferred name
- 1,4-Dimethylphenanthrene
- IUPAC
- 1,4-dimethylphenanthrene
- English name
- 1,4-DIMETHYLPHENANTHRENE
- Molecular formula
- C16H14
- Molecular weight
- 206.28
Names & synonyms
1,4-DIMETHYLPHENANTHRENE22349-59-3Phenanthrene, 1,4-dimethyl-2A1M5X06OVDTXSID30176883RefChem:73313DTXCID4099374CCRIS 4928BRN 24397071,4-dimethyl-phenanthreneUNII-2A1M5X06OV4-05-00-02333 (Beilstein Handbook Reference)
Show more names
DIMETHYLPHENANTHRENE1,4-dimethyl-phenanthren1,4-Dimethylphenanthrene in isooctane
SCHEMBL599043CHEBI:82455DIMETHYLPHENANTHRENE, 1,4-AKOS0159048561,4-DIMETHYLPHENANTHRENE [IARC]C19407Q27155953
Database identifiers
- CAS
22349-59-3- PubChem CID
- 62758
- DTXSID
DTXSID30176883- ChEBI
CHEBI:82455- UNII
- 2A1M5X06OV
- Nikkaji
- J69.561K
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- 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
Physicochemical properties
- Melting point
- 50.4 °C · 50.4°C
- 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
- 2 A1M5X06OV · 2A1M5X06OV
- IARC
- 3 · 3 (Vol. Sup 7, 92) 2010
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Carcinogen Classification
1,4-Dimethylphenanthrene
Group 3: Not classifiable as to its carcinogenicity to humans
Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)
2010
2005
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 1,4-Dimethylphenanthrene is a member of phenanthrenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…