Diethyl nitromalonate - CAS 603-67-8
Catalog: |
BB030669 |
Product Name: |
Diethyl nitromalonate |
CAS: |
603-67-8 |
Synonyms: |
diethyl 2-nitropropanedioate |
IUPAC Name: | diethyl 2-nitropropanedioate |
Description: | Diethyl nitromalonate (CAS# 603-67-8) is a building block that can be used in the preparation of 5,5-diethoxycarbonyl-1-pyrroline N-oxide (DECPO). |
Molecular Weight: | 205.17 |
Molecular Formula: | C7H11NO6 |
Canonical SMILES: | CCOC(=O)C(C(=O)OCC)[N+](=O)[O-] |
InChI: | InChI=1S/C7H11NO6/c1-3-13-6(9)5(8(11)12)7(10)14-4-2/h5H,3-4H2,1-2H3 |
InChI Key: | DAKKWKYIQGMKOS-UHFFFAOYSA-N |
Boiling Point: | 287.5 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.174 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00009142 |
LogP: | 0.28110 |
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 |
CN-111499865-A | Synthesis method of phosphorus-containing polyimide | 20200527 |
EP-3484971-A1 | Alternative oxidizing agents for cobalt cmp | 20160714 |
US-2018016469-A1 | Alternative oxidizing agents for cobalt cmp | 20160714 |
WO-2018013847-A1 | Alternative oxidizing agents for cobalt cmp | 20160714 |
EP-3419627-A2 | Anti-viral drug | 20160224 |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.05863707 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.05863707 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 98.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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