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612-94-2,MFCD00039601
Catalog No.:AA003HSW
612-94-2 | 2-Phenylnaphthalene
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1g
>95.0%(GC)
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Technical Information
Catalog Number:
AA003HSW
Chemical Name:
2-Phenylnaphthalene
CAS Number:
612-94-2
Molecular Formula:
C16H12
Molecular Weight:
204.2665
MDL Number:
MFCD00039601
IUPAC Name:
2-phenylnaphthalene
InChI:
InChI=1S/C16H12/c1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16/h1-12H
InChI Key:
TURIHPLQSRVWHU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc2c(c1)cccc2
EC Number:
210-324-6
UNII:
949VN5DH7A
NSC Number:
407592
Properties
Computed Properties
 
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.094g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.272g/mol
Monoisotopic Mass:
204.094g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

Synonyms
 
2-PHENYLNAPHTHALENE 
612-94-2 
EINECS 210-324-6 
2-phenyl-naphthalene 
AC1L1YGX 
ACMC-1BAS3 
2-Phenylnaphthalene, 98% 
DTXSID8060614 
ZINC1599913 
6317AF 
ANW-33760 
MFCD00039601 
Naphthalene, 2-phenyl- 
NSC407592 
AKOS016015924 
MCULE-6148374016 
Naphthalene, 2-phenyl- (8CI)(9CI) 
NSC-407592 
OR52227 
SS-4770 
VZ25167 
CC-11842 
CJ-25728 
.beta.-Phenylnaphthalene 
DB-053832 
TC-122505 
FT-0632555 
P0679 
2-Phenylnaphthalene 10 microg/mL in Cyclohexane 
C-10016 
I14-93694 
Z1736182601 
InChI=1/C16H12/c1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16/h1-12 
Naphthalene, phenyl- 
UNII-949VN5DH7A 
c1(ccc2ccccc2c1)c3ccccc3 
CID11934 
C16H12 
C16-H12 
2-Phenylnaphthalene (<lt/> 100 microg/ml) in cyclohexane 
35465-71-5 
NSC 407592 
949VN5DH7A 
TURIHPLQSRVWHU-UHFFFAOYSA-N 
beta-Phenylnaphthalene 
6-phenylnaphthalene 
Literature

Title: Synthesis of 2-phenylnaphthalenes through gold-catalyzed dimerization via a highly selective carbon nucleophile pathway.

Journal: The Journal of organic chemistry 20110603

Title: In silico prediction of estrogen receptor subtype binding affinity and selectivity using statistical methods and molecular docking with 2-arylnaphthalenes and 2-arylquinolines.

Journal: International journal of molecular sciences 20100101

Title: Protein engineering on biphenyl dioxygenase for conferring activity to convert 7-hydroxyflavone and 5,7-dihydroxyflavone (chrysin).

Journal: Journal of bioscience and bioengineering 20080801

Title: Quantitative structure-activity relationships for a series of selective estrogen receptor-beta modulators.

Journal: SAR and QSAR in environmental research 20070101

Title: Design, microwave-assisted synthesis, and spasmolytic activity of 2-(alkyloxyaryl)-1H-benzimidazole derivatives as constrained stilbene bioisosteres.

Journal: Bioorganic & medicinal chemistry letters 20060815

Title: The unexpected science of estrogen receptor-beta selective agonists: a new class of anti-inflammatory agents?

Journal: Nuclear receptor signaling 20060101

Title: Hole mobility and lifetime in a smectic liquid crystalline photoconductor of a 2-phenylnaphthalene derivative.

Journal: The Journal of chemical physics 20051222

Title: Degradation of benz[a]anthracene by Mycobacterium vanbaalenii strain PYR-1.

Journal: Biodegradation 20051201

Title: Electronic and ionic transports for negative charge carriers in smectic liquid crystalline photoconductor.

Journal: The journal of physical chemistry. B 20051201

Title: Photocyclization of 2-vinyldiphenylacetylenes and behavior of the isonaphthalene intermediates.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20050801

Title: ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity.

Journal: Journal of medicinal chemistry 20050616

Title: What contributes to the combined effect of a complex mixture?

Journal: Environmental science & technology 20041201

Title: Concise three-component synthesis of defucogilvocarcin M.

Journal: Organic letters 20040722

Title: Thiophenes as traps for benzyne. 3. Diaryl sulfides and the role of dipolar intermediates.

Journal: The Journal of organic chemistry 20030110

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