Diethyl 2,5-Dihydroxyterephthalate - CAS 5870-38-2
Catalog: |
BB030135 |
Product Name: |
Diethyl 2,5-Dihydroxyterephthalate |
CAS: |
5870-38-2 |
Synonyms: |
2,5-dihydroxybenzene-1,4-dicarboxylic acid diethyl ester; diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate |
IUPAC Name: | diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate |
Description: | Diethyl 2,5-Dihydroxyterephthalate (CAS# 5870-38-2 ) is a useful research chemical. |
Molecular Weight: | 254.24 |
Molecular Formula: | C12H14O6 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1O)C(=O)OCC)O |
InChI: | InChI=1S/C12H14O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6,13-14H,3-4H2,1-2H3 |
InChI Key: | UQOUOXLHXPHDHF-UHFFFAOYSA-N |
Boiling Point: | 408.5 °C at 760 mmHg |
Melting Point: | 135-137 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.303 g/cm3 |
LogP: | 1.45120 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22381136 | 20120316 | Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core | Organic letters |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.07903816 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.07903816 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 93.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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