Basic Description

Synonyms	DTXSID20557349 \| 1,4-Benzenedicarboxylic acid, 2-(trifluoromethyl)- \| AS-68364 \| YSWG827 \| SCHEMBL7026695 \| AKOS022171874 \| CS-0157134 \| 2-(Trifluoromethyl)terephthalicacid \| 2-(trifluoromethyl)-1,4-Benzenedicarboxylic acid \| 2-(Trifluoromethyl)benzene-1,
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Phthalic acid and derivatives
        Level6 P-phthalic acid and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives
Direct Parent	P-phthalic acid and derivatives
Alternative Parents	Trifluoromethylbenzenes Benzoic acids Benzoyl derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Para_phthalic_acid - Trifluoromethylbenzene - Benzoic acid - Benzoyl - Carboxylic acid - 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 p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(trifluoromethyl)terephthalic acid
INCHI	InChI=1S/C9H5F3O4/c10-9(11,12)6-3-4(7(13)14)1-2-5(6)8(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey	VILUXUCAKGZKCA-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(=O)O)C(F)(F)F)C(=O)O
Isomeric SMILES	C1=CC(=C(C=C1C(=O)O)C(F)(F)F)C(=O)O
PubChem CID	14203332
Molecular Weight	234.13

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
I2426343	Certificate of Analysis	Sep 13, 2024	T587324
I2426439	Certificate of Analysis	Sep 13, 2024	T587324
E2526041	Certificate of Analysis	Sep 13, 2024	T587324
I2426342	Certificate of Analysis	Sep 13, 2024	T587324
I2426440	Certificate of Analysis	Sep 13, 2024	T587324
D2417043	Certificate of Analysis	Aug 01, 2023	T587324
H2315481	Certificate of Analysis	Aug 01, 2023	T587324
H2315482	Certificate of Analysis	Aug 01, 2023	T587324
H2315485	Certificate of Analysis	Aug 01, 2023	T587324
H2315484	Certificate of Analysis	Aug 01, 2023	T587324

Chemical and Physical Properties

Molecular Weight	234.130 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	234.014 Da
Monoisotopic Mass	234.014 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	300.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Yong Wang, Tong Li, Libo Li, Rui-Biao Lin, Xiaoxia Jia, Zeyu Chang, Hui-Min Wen, Xiao-Ming Chen, Jinping Li. (2023) Construction of Fluorinated Propane-Trap in Metal–Organic Frameworks for Record Polymer-Grade Propylene Production under High Humidity Conditions. ADVANCED MATERIALS, 35 (14): (2207955).

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SKU	Size	Availability	Price
T587324-100mg	100mg	3	$43.90
T587324-250mg	250mg	2	$56.90
T587324-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$179.90
T587324-5g	5g	2	$842.90

2-(Trifluoromethyl)terephthalic acid - 97%, high purity , CAS No.1483-47-2