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2-Chloro-4-(3-dibenzofuranyl)-6-phenyl-1,3,5-triazine , CAS No.2142681-84-1
Basic Description
Synonyms
2-Chloro-4-(dibenzo[b,d]furan-3-yl)-6-phenyl-1,3,5-triazine | 2142681-84-1 | SCHEMBL19918492 | BS-46881 | CS-0437489 | F72376 | 2-hloro-4-(dibenzo[b,]uran-3-l)-6-henyl-1,3,5-riazine
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Dibenzofurans
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzofurans
Alternative Parents
Chloro-s-triazines Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzofuran - Chloro-s-triazine - Halo-s-triazine - 1,3,5-triazine - Benzenoid - Triazine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Furan - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring.
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
IUPAC Name
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
INCHI
InChI=1S/C21H12ClN3O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-16-15-8-4-5-9-17(15)26-18(16)12-14/h1-12H
InChIKey
MPIJGSAWPMMKMU-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC4=C(C=C3)C5=CC=CC=C5O4
Isomeric SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC4=C(C=C3)C5=CC=CC=C5O4
Molecular Weight
357.79
Reaxy-Rn
32549073
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32549073&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Insoluble
Boil Point(°C)
613.2±47.0 °C
Molecular Weight
357.800 g/mol
XLogP3
6.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
357.067 Da
Monoisotopic Mass
357.067 Da
Topological Polar Surface Area
51.800 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
486.000
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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