Dibenzyl carbonate - CAS 3459-92-5
Catalog: |
BB022200 |
Product Name: |
Dibenzyl carbonate |
CAS: |
3459-92-5 |
Synonyms: |
dibenzyl carbonate |
IUPAC Name: | dibenzyl carbonate |
Description: | Dibenzyl carbonate (CAS# 3459-92-5) is a useful research chemical. |
Molecular Weight: | 242.27 |
Molecular Formula: | C15H14O3 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C15H14O3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2 |
InChI Key: | PIZLBWGMERQCOC-UHFFFAOYSA-N |
Boiling Point: | 180-190 °C2 mmHg (lit.) |
Melting Point: | 29-33 °C (lit.) |
Purity: | 98+ % |
Density: | 1.157 g/cm3 |
Appearance: | Colorless low melting solid |
MDL: | MFCD00014436 |
LogP: | 3.54000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112481319-A | Green synthesis method of carbamate | 20201210 |
JP-6866957-B1 | Adhesive for skin application, cured product and adhesive tape for skin application | 20201027 |
DE-102020117671-A1 | Polyurea lubricating greases containing carbonates and their use | 20200703 |
CN-111763226-A | Hydroboration reaction method of carbonic ester | 20200616 |
CN-111362799-A | Preparation method of long-chain diacid monobenzyl ester compound | 20200410 |
PMID | Publication Date | Title | Journal |
21760822 | 20110101 | Applications of propargyl esters of amino acids in solution-phase Peptide synthesis | International journal of peptides |
22091424 | 20110101 | Use of pattern recognition analysis to identify underlying relationships of Doxorubicin derivatives optimized for breast cancer treatment | ISRN oncology |
19222068 | 20090101 | A chemoenzymatic approach to enantiomerically pure amines using dynamic kinetic resolution: application to the synthesis of norsertraline | Chemistry (Weinheim an der Bergstrasse, Germany) |
18826197 | 20081023 | Organic carbonates: experiment and ab initio calculations for prediction of thermochemical properties | The journal of physical chemistry. A |
16173741 | 20050928 | Fluorous-based carbohydrate microarrays | Journal of the American Chemical Society |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.094294304 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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