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Dodecahydrotriphenylene - 99%, high purity , CAS No.1610-39-5

COA

Grade & Purity:

≥99%

Cas Number: 1610-39-5
Molecular Weight: 240.38
MDL number: MFCD00001109
PubChem CID: 95278
PubChem SID: 488186893

In stock

Item Number

D474240

Grouped product items
SKU	Size	Availability	Price
D474240-1g	1g	5	$70.90
D474240-5g	5g	1	$288.90
D474240-10g	10g	1	$480.90

Basic Description

Synonyms	1,3,4,5,6,7,8,9,10,11,12-Dodecahydrotriphenylene \| Tritetralin \| EINECS 216-550-1 \| AKOS005444325 \| Triphenylene, 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydro- \| DTXSID10167052 \| ODHYDPYRIQKHCI-UHFFFAOYSA-N \| 1,2,3,4,5,6,7,8,9,10,11,12-Dodecahydrotriphenylene \|
Specifications & Purity	≥99%
Shipped In	Normal
Product Description	Description Dodecahydrotriphenylene forms metal-carbonyl complexes. It undergoes hydrogenation and rearrangement by action of AlCl3in inert atmosphere conditions at 20°C (hexane solution) or 70°C (heptane solution). It is formed by trimerization of cyclohexanone. It undergoes oxidation by peroxytrifluoroacetic acid and boron fluoride etherate at 0°C to form cross-conjugated cyclohexadieone.Dodecahydrotriphenylene was used to develop a set of new bacterial bioreporters and assays for detection of long chain alkanes based on the marine bacteriumAlcanivorax borkumensisstrain SK2.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenanthrenes and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenanthrenes and derivatives
Alternative Parents	Tetralins Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Phenanthrene - Tetralin - 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488186893
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186893
IUPAC Name	1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene
INCHI	InChI=1S/C18H24/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H2
InChIKey	ODHYDPYRIQKHCI-UHFFFAOYSA-N
Smiles	C1CCC2=C3CCCCC3=C4CCCCC4=C2C1
Isomeric SMILES	C1CCC2=C3CCCCC3=C4CCCCC4=C2C1
WGK Germany	3
Molecular Weight	240.38
Reaxy-Rn	2051002
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051002&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
G2315631	Certificate of Analysis	Jul 10, 2023	D474240
G2315636	Certificate of Analysis	Jul 10, 2023	D474240
G2315626	Certificate of Analysis	Jul 10, 2023	D474240
G2315630	Certificate of Analysis	Jul 10, 2023	D474240
G2315621	Certificate of Analysis	Jul 10, 2023	D474240
G2315627	Certificate of Analysis	Jul 10, 2023	D474240

Chemical and Physical Properties

Solubility	hexane: soluble
Melt Point(°C)	231-233 °C (lit.)
Molecular Weight	240.400 g/mol
XLogP3	6.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	240.188 Da
Monoisotopic Mass	240.188 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	18
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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