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Terephthalic-D4 Acid
[CAS# 60088-54-2]

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Identification
Classification Chemical reagent >> Deuterated reagent
Name Terephthalic-D4 Acid
Synonyms (2,3,5,6-2H4)Terephthalic Acid; 1,4-Benzene-D4-Dicarboxylic Acid; 195553_Aldrich
Molecular Structure CAS#: 60088-54-2, Terephthalic-D4 Acid
Molecular Formula C8H2D4O4
Molecular Weight 170.16
CAS Registry Number 60088-54-2
EINECS 262-050-1
SMILES C1(=C(C(=C(C(=C1C(O)=O)[2H])[2H])C(O)=O)[2H])[2H]
InChI 1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/i1D,2D,3D,4D
InChIKey KKEYFWRCBNTPAC-RHQRLBAQSA-N
Properties
Density 1.486g/cm3 (Cal.)
Boiling point 392.373°C at 760 mmHg (Cal.)
Flash point 205.267°C (Cal.)
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