Di-tert-butyl oxalate - CAS 691-64-5
Catalog: |
BB033717 |
Product Name: |
Di-tert-butyl oxalate |
CAS: |
691-64-5 |
Synonyms: |
ditert-butyl oxalate |
IUPAC Name: | ditert-butyl oxalate |
Description: | Di-tert-butyl oxalate (CAS# 691-64-5) is a useful research chemical. |
Molecular Weight: | 202.25 |
Molecular Formula: | C10H18O4 |
Canonical SMILES: | CC(C)(C)OC(=O)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C10H18O4/c1-9(2,3)13-7(11)8(12)14-10(4,5)6/h1-6H3 |
InChI Key: | CIYGMWIAXRMHQS-UHFFFAOYSA-N |
Boiling Point: | 229.3 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.007 g/cm3 |
LogP: | 1.66980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021124113-A1 | Silicone polyoxamide copolymers with amine-based end groups | 20191219 |
WO-2021124202-A1 | Silicone polyoxamide copolymers | 20191219 |
WO-2021126316-A1 | Macrocyclic compounds | 20191218 |
WO-2021125802-A1 | Novel indazole derivative, and use thereof | 20191216 |
WO-2021125803-A1 | Novel pyrimidin derivative and use thereof | 20191216 |
PMID | Publication Date | Title | Journal |
22101542 | 20111201 | Crystal packing and melting temperatures of small oxalate esters: the role of C-H···O hydrogen bonding | Acta crystallographica. Section B, Structural science |
22075761 | 20110101 | Flexible antibodies with nonprotein hinges | Proceedings of the Japan Academy. Series B, Physical and biological sciences |
19593439 | 20090713 | Exploration of the one-bead one-compound methodology for the design of prolyl oligopeptidase substrates | PloS one |
19214198 | 20090101 | Transporter molecules influence the gene expression in HeLa cells | International journal of medical sciences |
18565219 | 20080619 | Altered localisation of the copper efflux transporters ATP7A and ATP7B associated with cisplatin resistance in human ovarian carcinoma cells | BMC cancer |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.12050905 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.12050905 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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