Bis(4-nitrophenyl)carbonate - CAS 5070-13-3
Catalog: |
BB027182 |
Product Name: |
Bis(4-nitrophenyl)carbonate |
CAS: |
5070-13-3 |
Synonyms: |
Carbonic Acid Bis(4-nitrophenyl) Ester; 4,4'-Dinitrodiphenyl Carbonate; Bis(p-nitrophenyl) Carbonate; Di-4-nitrophenyl Carbonate; Di-p-nitrophenyl Carbonate; NSC 1730; NPC; p,p'-Dinitrodiphenylcarbonate; p-nitrophenylcarbonate; SCHEMBL26374 |
IUPAC Name: | bis(4-nitrophenyl) carbonate |
Description: | Bis(4-nitrophenyl) Carbonate is used for synthesis of 4-nitrophenyl active esters of amino acids. It can also be used in the preparation of symmetrical and unsymmetrical ureas. |
Molecular Weight: | 304.21 |
Molecular Formula: | C13H8N2O7 |
Canonical SMILES: | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C13H8N2O7/c16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20/h1-8H |
InChI Key: | ACBQROXDOHKANW-UHFFFAOYSA-N |
Boiling Point: | 475.9±30.0 °C (Predicted) |
Melting Point: | 136-139 °C |
Purity: | 98 % (HPLC) |
Density: | 1.501±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform, Tetrahydrofuran, Ethyl Acetate |
Appearance: | Off-white to light-yellow crystal |
Storage: | 2-8 °C under inert atmosphere |
MDL: | MFCD00007322 |
LogP: | 4.12720 |
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 |
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PMID | Publication Date | Title | Journal |
23125706 | 20121001 | 3-(2-Acetamido-eth-yl)-1H-indol-5-yl 4-nitro-phenyl carbonate | Acta crystallographica. Section E, Structure reports online |
22424829 | 20120615 | Poly(L-lysine)-based star-block copolymers as pH-responsive nanocarriers for anionic drugs | Colloids and surfaces. B, Biointerfaces |
22419875 | 20120101 | Construction of paclitaxel-loaded poly (2-hydroxyethyl methacrylate)-g-poly (lactide)-1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine copolymer nanoparticle delivery system and evaluation of its anticancer activity | International journal of nanomedicine |
21654577 | 20110607 | The 2-(triphenylsilyl)ethoxycarbonyl-('Tpseoc'-) group: a new silicon-based, fluoride cleavable oxycarbonyl protecting group highly orthogonal to the Boc-, Fmoc- and Cbz-groups | Molecules (Basel, Switzerland) |
21584287 | 20110101 | Cyclic enkephalin-deltorphin hybrids containing a carbonyl bridge: structure and opioid activity | Acta biochimica Polonica |
Complexity: | 377 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.03315060 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.03315060 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 127 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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