Dimethyl 5-hydroxyisophthalate - CAS 13036-02-7
Catalog: |
BB007091 |
Product Name: |
Dimethyl 5-hydroxyisophthalate |
CAS: |
13036-02-7 |
Synonyms: |
dimethyl 5-hydroxybenzene-1,3-dicarboxylate |
IUPAC Name: | dimethyl 5-hydroxybenzene-1,3-dicarboxylate |
Description: | Dimethyl 5-hydroxyisophthalate (CAS# 13036-02-7) is a useful synthetic intermediate in the synthesis of N,N'-Bis(2,3-dihydroxypropyl)-5-[(N-(2-hydroxyethyl)carbamoyl)methoxy]-2,4,6-triiodoisophthalamide (B426310); a compound related to Ioversol( I737000) which is a nonionic, low osmolality, radiographic contrast agent. |
Molecular Weight: | 210.18 |
Molecular Formula: | C10H10O5 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)O)C(=O)OC |
InChI: | InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3 |
InChI Key: | DOSDTCPDBPRFHQ-UHFFFAOYSA-N |
Boiling Point: | 360.6 °C at 760 mmHg |
Density: | 1.284 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00134367 |
LogP: | 0.96540 |
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 |
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PMID | Publication Date | Title | Journal |
22596093 | 20120628 | Solid-phase synthesis and acidolytic degradation of sterically congested oligoether dendrons | Organic & biomolecular chemistry |
21837203 | 20110701 | Tetra-methyl 5,5'-[4,5-dicyano-1,2-phenyl-enebis(-oxy)]diisophthalate chloro-form monosolvate | Acta crystallographica. Section E, Structure reports online |
21603220 | 20110101 | Enhanced Transport Capabilities via Nanotechnologies: Impacting Bioefficacy, Controlled Release Strategies, and Novel Chaperones | Journal of drug delivery |
15068093 | 20030101 | Enzymatic synthesis of multi-component copolymers and their structural characterization | Molecular diversity |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.05282342 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.05282342 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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