Terephthalic acid

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CATAPS100210
CAS100-21-0
Structure
MDL NumberMFCD00002558
IUPAC Nameterephthalic acid
Molecular Weight166.13
Molecular FormulaC8H6O4
EC Number202-830-0
Canonical SMILESOC(=O)c1ccc(cc1)C(=O)O
InChIInChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChI KeyKKEYFWRCBNTPAC-UHFFFAOYSA-N
REAXYS Number1909333
Descriptionanalytical standard
Accurate Mass166.0266
Assay≥98.0% (GC); 97.5-102.5% (T)
Autoignition Temperature925 °F; gas chromatography (GC): suitable
Formneat
FormatNeat
Gradeanalytical standard
Linear FormulaC6H4-1,4-(CO2H)2
MP>300 °C (lit.)
ShippingRoom Temperature
Size100MG
Storage Conditions+20°C
SubcategoryPhthalates
Vapor Pressure<0.01 mmHg ( 20 °C)
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