Basic information
- CAS
31711-53-2- Standard SMILES
Cc1cccc2ccc3ccccc3c12- InChIKey
LOCGAKKLRVLQAM-UHFFFAOYSA-N- Molecular formula
- C15H12
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.09390038
Overview
4-methylphenanthrene has been reported in Pinellia ternata with data available.
Names & identifiers
- Preferred name
- 4-Methylphenanthrene
- IUPAC
- 4-methylphenanthrene
- English name
- 4-METHYLPHENANTHRENE
- Molecular formula
- C15H12
- Molecular weight
- 192.26
Names & synonyms
4-METHYLPHENANTHRENE832-64-44931P56DVPNSC-21046DTXSID7073933RefChem:1071184DTXCID4048353212-621-6Phenanthrene, 4-methyl-31711-53-2Phenanthrene, methyl-UNII-4931P56DVP
Show more names
phenanthrene,4-methyl-4-Methylphenanthrene in isooctane
NSC21046EINECS 212-621-6NSC 210464-methyl-phenanthreneSCHEMBL550683SCHEMBL1973016SCHEMBL18317231SCHEMBL18317256
Database identifiers
- CAS
31711-53-2、832-64-4- PubChem CID
- 13256
- DTXSID
DTXSID7073933- UNII
- 4931P56DVP
- EC Number
- 212-621-6
- Nikkaji
- J143.942A
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
PolymersPolycyclic aromatic hydrocarbon
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 53.5 °C · 53.5°C
- Boiling point
- 353.25 °C · 353.25°C (rough estimate)
- Density
- 1.0561 · 1.0561 (estimate)
- refractive index
- 1.6031 · 1.6031 (estimate)
- CAS DataBase Reference
- 832 · 832-64-4
- FDA UNII
- 4931 P56DVP · 4931P56DVP
- EPA Substance Registry System
- 4 · 4-Methylphenanthrene (832-64-4)
Chemistry & industry
Applications
Uses4-Methylphenanthrene is a derivative of phenanthrene (P294800) which is a polycyclic aromatic hydrocarbons, an environmental pollutant.
Upstream & downstream products
Downstream products
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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