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Hexaphenylcyclotrisiloxane - >96.0%, high purity , CAS No.512-63-0
Basic Description
Synonyms
MFCD00023110 | A828509 | 2,2,4,4,6,6-Hexaphenyl-1,3,5,2,4,6-trioxatrisilinane | 2,2,4,4,6,6-Hexaphenyl-1,3,5,2,4,6-trioxatrisilinane # | AKOS015840389 | EINECS 208-145-3 | H1248 | FT-0627038 | NSC 127080 | Cyclotrisiloxane, 2,2,4,4,6,6-hexaphenyl- | Hexap
Specifications & Purity
≥96%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Organoheterosilanes Organic metalloid salts Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organosilicon compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of 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
488184100
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488184100
IUPAC Name
2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-trioxatrisilinane
INCHI
InChI=1S/C36H30O3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKey
VCYDUTCMKSROID-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)[Si]2(O[Si](O[Si](O2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
Isomeric SMILES
C1=CC=C(C=C1)[Si]2(O[Si](O[Si](O2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
WGK Germany
3
Molecular Weight
594.89
Beilstein
16(4)1530
Reaxy-Rn
2957773
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2957773&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Insoluble in water; Soluble in Toluene
Boil Point(°C)
300°C/2mmHg(lit.)
Melt Point(°C)
175-192°C
Molecular Weight
594.900 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
594.15 Da
Monoisotopic Mass
594.15 Da
Topological Polar Surface Area
27.700 Ų
Heavy Atom Count
42
Formal Charge
0
Complexity
650.000
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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D23142438