Basic information
- CAS
2131-38-6- Standard SMILES
Cc1cc(C)c2cc(C)ccc2c1- InChIKey
HXDVFWJRDVUZFT-UHFFFAOYSA-N- Molecular formula
- C13H14
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.10955045
Names & identifiers
- Preferred name
- 1,3,7-Trimethylnaphthalene
- IUPAC
- 1,3,7-trimethylnaphthalene
- English name
- 1,3,7-Trimethylnaphthalene
- Molecular formula
- C13H14
- Molecular weight
- 170.25
Names & synonyms
1,3,7-TRIMETHYLNAPHTHALENE2131-38-6Naphthalene, 1,3,7-trimethyl-3Z29PKT7H3DTXSID30175573RefChem:1052638DTXCID9098064218-354-11,?3,?7-?TrimethylnaphthaleneEINECS 218-354-1SCHEMBL597701Naphthalene, 1,3,7-trimethyl
Show more names
SCHEMBL6601643AKOS006278561NS00026837
Database identifiers
- CAS
2131-38-6- PubChem CID
- 16477
- DTXSID
DTXSID30175573- UNII
- 3Z29PKT7H3
- EC Number
- 218-354-1
- Nikkaji
- J272.615G
Properties
Computed structural properties
- XLogP
- 4.8
- 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
LogP4.38
Physicochemical properties
- Melting point
- 13 °C · 13°C
- Boiling point
- 269.91 °C · 269.91°C (estimate)
- Density
- 1.003 · 1.0030
- refractive index
- 1.593 · 1.5930
- Henry's Law Constant
- 6 · 6.0×10-2 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- LogP
- 4.94 · 4.940 (est)
Chemistry & industry
Applications
Uses1,3,7-Trimethylnaphthalene is a biodegradation product of alkylnaphthalene,.
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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