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4,5,9,10-Tetrahydropyrene - purified by sublimation,≥98.0%(GC), high purity , CAS No.781-17-9
Basic Description
Synonyms
4,5,9,10-Tetrahydropyrene (purified by sublimation) | YSZC360 | 4,5,9,10-Tetrahydropyrene # | Pyrene, 4,5,9,10-tetrahydro- | AKOS015840885 | T2655 | FT-0724346 | T2264 | A865094 | MFCD00267195 | InChI=1/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(
Specifications & Purity
sublimed grade, ≥98%(GC)
Storage Temp
Argon charged
Shipped In
Normal
Grade
sublimed grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthrenes and derivatives
Alternative Parents
Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504754461
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754461
IUPAC Name
4,5,9,10-tetrahydropyrene
INCHI
InChI=1S/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-6H,7-10H2
InChIKey
XDFUNRTWHPWCKO-UHFFFAOYSA-N
Smiles
C1CC2=C3C(=CC=C2)CCC4=CC=CC1=C43
Isomeric SMILES
C1CC2=C3C(=CC=C2)CCC4=CC=CC1=C43
PubChem CID
69906
Molecular Weight
206.29
Beilstein
5(4)2341
Reaxy-Rn
1911652
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
383 °C
Melt Point(°C)
140 °C
Molecular Weight
206.280 g/mol
XLogP3
4.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
206.11 Da
Monoisotopic Mass
206.11 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
217.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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B2421291