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Triphenylen-2-ylboronic acid - 99%, high purity , CAS No.654664-63-8
Basic Description
Synonyms
Triphenylen-2-ylboronic acid | 654664-63-8 | 2-triphenylenylBoronic acid | B-2-Triphenylenylboronic acid | Triphenylene-2-boronic acid | MFCD16660186 | Triphenylen-2-ylboronic | 2-Triphenyleneboronic Acid | Triphenylen-2-ylboronicacid | 2-triphenylene boronic acid | tripheny
Specifications & Purity
≥99%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Triphenylenes
Intermediate Tree Nodes
Not available
Direct Parent
Triphenylenes
Alternative Parents
Naphthalenes Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Triphenylene - Naphthalene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
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
504771772
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504771772
IUPAC Name
triphenylen-2-ylboronic acid
INCHI
InChI=1S/C18H13BO2/c20-19(21)12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11,20-21H
InChIKey
PXFBSZZEOWJJNL-UHFFFAOYSA-N
Smiles
B(C1=CC2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42)(O)O
Isomeric SMILES
B(C1=CC2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42)(O)O
PubChem CID
59805119
Molecular Weight
272.11
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
272.100 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
272.101 Da
Monoisotopic Mass
272.101 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
372.000
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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