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Bis(2,2,2-trifluoroethyl) Phthalate [Standard for Phthalate GLC Determination] - >98.0%, high purity , CAS No.62240-27-1
Basic Description
Synonyms
bis(2,2,2-trifluoroethyl) benzene-1,2-dicarboxylate | DTXSID30346867 | bis(2,2,2-trifluoroethyl)phthalate | SCHEMBL2003037 | phthalic acid bis(2,2,2-trifluoroethyl)ester | P0785 | Bis(2,2,2-trifluoroethyl) phthalate # | FT-0640815 | Phthalic acid bis(2,2,
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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
bis(2,2,2-trifluoroethyl) benzene-1,2-dicarboxylate
INCHI
InChI=1S/C12H8F6O4/c13-11(14,15)5-21-9(19)7-3-1-2-4-8(7)10(20)22-6-12(16,17)18/h1-4H,5-6H2
InChIKey
PSRBRNHUQJKQHV-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F
Isomeric SMILES
C1=CC=C(C(=C1)C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F
Molecular Weight
330.18
Reaxy-Rn
32656081
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32656081&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
heat sensitive
Melt Point(°C)
41 °C
Molecular Weight
330.180 g/mol
XLogP3
4.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
6
Exact Mass
330.033 Da
Monoisotopic Mass
330.033 Da
Topological Polar Surface Area
52.600 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
365.000
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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H2112060