2-(Trifluoromethoxy)terephthalic acid

Base Information

• Chemical Name: 2-(Trifluoromethoxy)terephthalic acid
• CAS No.: 175278-21-4
• Molecular Formula: C9H5F3O5
• Molecular Weight: 250.13
• Hs Code.: 2918990090
• European Community (EC) Number: 642-567-2
• DSSTox Substance ID: DTXSID90380489
• Wikidata: Q72511557
• Mol file: 175278-21-4.mol

Synonyms:2-(trifluoromethoxy)terephthalic acid;175278-21-4;2-(trifluoromethoxy)benzene-1,4-dicarboxylic acid;2-(Trifluoromethoxy)terephthalicacid;2-(trifluoromethoxy)-1,4-benzenedicarboxylic acid;MFCD00203986;1,4-Benzenedicarboxylic acid, 2-(trifluoromethoxy)-;MixCom1_000193;C9H5F3O5;Maybridge1_000105;SCHEMBL708079;DTXSID90380489;VVTIYBRREAGBBA-UHFFFAOYSA-N;BBL103471;CCG-48155;STL557281;AKOS005257233;AM84617;CS-W006838;SB11465;AC-26758;TS-00775;A3891;FT-0602300;SR-01000637719-1;BRD-K04879982-001-01-8

Chemical Property of 2-(Trifluoromethoxy)terephthalic acid

Chemical Property:

• Vapor Pressure: 1.45E-05mmHg at 25°C
• Melting Point: 270-272 °C
• Refractive Index: 1.4768
• Boiling Point: 352.198 °C at 760 mmHg
• Flash Point: 166.804 °C
• PSA: 83.83000
• Density: 1.615 g/cm³
• LogP: 1.98160
• Storage Temp.: Keep Cold
• Sensitive.: Air Sensitive/Stench
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 250.00890774
• Heavy Atom Count: 17
• Complexity: 314

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Trifluoromethoxy)terephthalicAcid(>85%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 34-43
• Safety Statements: 26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)C(=O)O
• Uses: 2-(Trifluoromethoxy)terephthalic Acid (>85%) can be prepared to use as factor Xa inhibitors.