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2,3,5,6-Tetrafluoro-1,4-phenylenediamine - >98.0%(GC)(T), high purity , CAS No.1198-64-7
Basic Description
Synonyms
FT-0633468 | NSC114704 | NSC-114704 | p-Phenylenediamine, 2,3,5,6-tetrafluoro- | 2,3,5,6-Tetrafluoro-1,4-phenylenediamine | Dimethyloxazolidinedione | T1110 | p-Phenylenediamine,3,5,6-tetrafluoro- | CS-0170372 | Emtrymix | Perfekthion | AKOS006230416 | MF
Specifications & Purity
≥98%(GC)(T)
Storage Temp
Protected from light,Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Phenylenediamines
Direct Parent
P-phenylenediamines
Alternative Parents
Fluorobenzenes Aryl fluorides Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-phenylenediamine - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phenylenediamines. These are aromatic compound containing a benzene ring which carries 2 amino groups, at the 1- and 4-positions.
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
488184624
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488184624
IUPAC Name
2,3,5,6-tetrafluorobenzene-1,4-diamine
INCHI
InChI=1S/C6H4F4N2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H2
InChIKey
FVFYRXJKYAVFSB-UHFFFAOYSA-N
Smiles
C1(=C(C(=C(C(=C1F)F)N)F)F)N
Isomeric SMILES
C1(=C(C(=C(C(=C1F)F)N)F)F)N
PubChem CID
70979
Molecular Weight
180.11
Reaxy-Rn
2106870
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Methanol
Sensitivity
Light Sensitive,Air Sensitive
Melt Point(°C)
145 °C
Molecular Weight
180.100 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
180.031 Da
Monoisotopic Mass
180.031 Da
Topological Polar Surface Area
52.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
134.000
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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K2330361