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2-[2-(Furan-2-yl)vinyl]-4,6-bis(trichloromethyl)-1,3,5-triazine - 95%, high purity , CAS No.154880-05-4
Basic Description
Synonyms
2,4-Bis(trichloromethyl)-6-[(2-(furan-2-yl)vinyl]-1,3,5-triazine | SCHEMBL499048 | (E)-2-(2-(Furan-2-yl)vinyl)-4,6-bis(trichloromethyl)-1,3,5-triazine | DTXSID201155852 | H10600 | GS-5976 | MFCD00671535 | A883688 | F0362 | 1,3,5-Triazine,2-[2-(2-furanyl)e
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazines
Subclass
1,3,5-triazines
Intermediate Tree Nodes
Not available
Direct Parent
1,3,5-triazines
Alternative Parents
Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,3,5-triazine - Heteroaromatic compound - Furan - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3,5-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5.
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
504769076
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504769076
IUPAC Name
2-[(E)-2-(furan-2-yl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
INCHI
InChI=1S/C11H5Cl6N3O/c12-10(13,14)8-18-7(4-3-6-2-1-5-21-6)19-9(20-8)11(15,16)17/h1-5H/b4-3+
InChIKey
PNDRGJCVJPHPOZ-ONEGZZNKSA-N
Smiles
C1=COC(=C1)C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
Isomeric SMILES
C1=COC(=C1)/C=C/C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
Molecular Weight
407.88
Reaxy-Rn
38114172
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38114172&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light Sensitive
Melt Point(°C)
142 °C
Molecular Weight
407.900 g/mol
XLogP3
4.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
406.853 Da
Monoisotopic Mass
404.856 Da
Topological Polar Surface Area
51.800 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
361.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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L2209538