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Tetrafluoroisophthalic Acid - >97.0%, high purity , CAS No.1551-39-9
Basic Description
Synonyms
2,4,5,6-Tetrafluoro-1,3-benzenedicarboxylic acid, 2,4,5,6-Tetrafluoroisophthalic acid, m -Tetrafluorobenzenedicarboxylic acid
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Phthalic acid and derivatives
Direct Parent
M-phthalic acid and derivatives
Alternative Parents
Halobenzoic acids 4-halobenzoic acids 3-halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Dicarboxylic acids and derivatives Aryl fluorides Vinylogous halides Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta_phthalic_acid - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Fluorobenzene - Halobenzene - Dicarboxylic acid or derivatives - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
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
488189359
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488189359
IUPAC Name
2,4,5,6-tetrafluorobenzene-1,3-dicarboxylic acid
INCHI
InChI=1S/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h(H,13,14)(H,15,16)
InChIKey
PGRIMKUYGUHAKH-UHFFFAOYSA-N
Smiles
C1(=C(C(=C(C(=C1F)F)F)C(=O)O)F)C(=O)O
Isomeric SMILES
C1(=C(C(=C(C(=C1F)F)F)C(=O)O)F)C(=O)O
PubChem CID
297552
Molecular Weight
238.09
Reaxy-Rn
1992506
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility in Methanol almost transparency
Melt Point(°C)
212-214 °C
Molecular Weight
238.090 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
2
Exact Mass
237.989 Da
Monoisotopic Mass
237.989 Da
Topological Polar Surface Area
74.600 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
282.000
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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L2412300