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5-Tert-Butylbenzene-1,3-Dicarboxylic Acid
[CAS# 2359-09-3]

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Identification
Classification Chemical reagent >> Organic reagent >> Aromatic acid
Name 5-Tert-Butylbenzene-1,3-Dicarboxylic Acid
Synonyms 5-Tert-Butylisophthalic Acid; 362514_Aldrich
Molecular Structure CAS#: 2359-09-3, 5-Tert-Butylbenzene-1,3-Dicarboxylic Acid
Molecular Formula C12H14O4
Molecular Weight 222.24
CAS Registry Number 2359-09-3
EINECS 219-100-2
SMILES C1=C(C=C(C(O)=O)C=C1C(O)=O)C(C)(C)C
InChI 1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKey BJLUCDZIWWSFIB-UHFFFAOYSA-N
Properties
Density 1.227g/cm3 (Cal.)
Boiling point 399.956°C at 760 mmHg (Cal.)
Flash point 209.848°C (Cal.)
Safety Data
SDS Available
References
(1) X.-B. Xu, F.-F. Lan, S.-Y. Yang, R.-B. Huang and S. W. Ng. 5-tert-Butylbenzene-1,3-dicarboxylic acid, Acta Cryst. (2007). E63, o3747 
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