Basic information
- CAS
641-91-8- Standard SMILES
Cc1ccc2c(C)cccc2c1C- InChIKey
KTDQNLIDLMRHCJ-UHFFFAOYSA-N- Molecular formula
- C13H14
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.10955045
Names & identifiers
- Preferred name
- 1,2,5-Trimethylnaphthalene
- IUPAC
- 1,2,5-trimethylnaphthalene
- English name
- 1,2,5-Trimethylnaphthalene
- Molecular formula
- C13H14
- Molecular weight
- 170.25
Names & synonyms
1,2,5-Trimethylnaphthalene641-91-8DTXSID60214308RefChem:1052098DTXCID20136799211-379-9Naphthalene, 1,2,5-trimethyl-EINECS 211-379-91,2,5-trimethyl-naphthaleneSCHEMBL599103AKOS006273909NS00035652
Show more names
naphthalene,1,2,5-trimethyl-1,2,5-Trimethylnaphthalene in isooctane
Database identifiers
- CAS
641-91-8- PubChem CID
- 69501
- DTXSID
DTXSID60214308- EC Number
- 211-379-9
- Nikkaji
- J205.918E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 33.5 °C · 33.5°C
- Boiling point
- 269.91 °C · 269.91°C (estimate)
- Density
- 1.0103 · 1.0103
- refractive index
- 1.6093 · 1.6093
Chemistry & industry
Applications
Uses1,2,5-Trimethylnaphthalene is a biodegradation product of alkylnaphthalenes.
Suppliers7 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
Apin Chemicals Limited (UK)[email protected]
Carbone Scientific CO., LTD[email protected]
APIN-NP[email protected]
CHIRON[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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