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1,3,5-tris(2-methylphenyl)benzene - 97%, high purity , CAS No.87226-88-8
Basic Description
Synonyms
1,3,5-tris(2-methylphenyl)benzene | 87226-88-8 | 1,1':3',1''-Terphenyl, 2,2''-dimethyl-5'-(2-methylphenyl)- | 1,3,5-Tri-o-tolylbenzene | DTXSID20434707 | 1,3,5-Tris(2-methylphenyl)benzene, 97%
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Toluenes Aromatic hydrocarbons Unsaturated hydrocarbons
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Biphenyl - Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
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
504765214
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504765214
IUPAC Name
1,3,5-tris(2-methylphenyl)benzene
INCHI
InChI=1S/C27H24/c1-19-10-4-7-13-25(19)22-16-23(26-14-8-5-11-20(26)2)18-24(17-22)27-15-9-6-12-21(27)3/h4-18H,1-3H3
InChIKey
SRJLTGIQCDVQIA-UHFFFAOYSA-N
Smiles
CC1=CC=CC=C1C2=CC(=CC(=C2)C3=CC=CC=C3C)C4=CC=CC=C4C
Isomeric SMILES
CC1=CC=CC=C1C2=CC(=CC(=C2)C3=CC=CC=C3C)C4=CC=CC=C4C
WGK Germany
3
Molecular Weight
348.48
Reaxy-Rn
2289316
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2289316&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
132-136 °C
Molecular Weight
348.500 g/mol
XLogP3
7.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
3
Exact Mass
348.188 Da
Monoisotopic Mass
348.188 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
374.000
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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B2321577