Basic information
- CAS
3353-12-6- Standard SMILES
Cc1cc2cccc3ccc4cccc1c4c32- InChIKey
IXAFAYIIDHDJHN-UHFFFAOYSA-N- Molecular formula
- C17H12
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.09390038
Names & identifiers
- Preferred name
- 4-Methylpyrene
- IUPAC
- 4-methylpyrene
- English name
- 4-METHYLPYRENE
- Molecular formula
- C17H12
- Molecular weight
- 216.28
Names & synonyms
4-METHYLPYRENEPyrene, 4-methyl-3353-12-6DTXSID50187178EINECS 222-120-4RefChem:99936DTXCID60109669222-120-4IXAFAYIIDHDJHN-UHFFFAOYSA-N4-Methylpyren6AS2VW27PZSCHEMBL5746502
Show more names
PYRENE,4-METHYL-
SCHEMBL5746674SCHEMBL5748223SCHEMBL5749334SCHEMBL5749387SCHEMBL5749681SCHEMBL15327722SCHEMBL18317220SCHEMBL18317242
Database identifiers
- CAS
3353-12-6- PubChem CID
- 18784
- DTXSID
DTXSID50187178- UNII
- 6AS2VW27PZ
- EC Number
- 222-120-4
- Nikkaji
- J105.319A
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 143 · 143-143.5 °C
- Boiling point
- 410 · 410.0±0.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- FDA UNII
- 6 AS2VW27PZ · 6AS2VW27PZ
- EPA Substance Registry System
- 4 · Pyrene, 4-methyl- (3353-12-6)
Chemistry & industry
Suppliers5 total
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
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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