Ethyl 2-nitropropionate - CAS 2531-80-8
Catalog: |
BB018859 |
Product Name: |
Ethyl 2-nitropropionate |
CAS: |
2531-80-8 |
Synonyms: |
ethyl 2-nitropropanoate |
IUPAC Name: | ethyl 2-nitropropanoate |
Description: | Ethyl 2-nitropropionate (CAS# 2531-80-8) is a useful research chemical. |
Molecular Weight: | 147.13 |
Molecular Formula: | C5H9NO4 |
Canonical SMILES: | CCOC(=O)C(C)[N+](=O)[O-] |
InChI: | InChI=1S/C5H9NO4/c1-3-10-5(7)4(2)6(8)9/h4H,3H2,1-2H3 |
InChI Key: | ZXBGJDZWJJFFQY-UHFFFAOYSA-N |
Boiling Point: | 75 °C (9 torr) |
Solubility: | Not miscible in water. |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00024818 |
LogP: | 0.73790 |
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 |
US-2017173569-A1 | Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water | 20151216 |
WO-2017106426-A1 | Fe nanoparticles with ppm contents of pd, cu and/or ni, reactions in water catalyzed by them | 20151216 |
CN-107567464-B | Process for producing polydienes and polydiene copolymers having reduced cold flow properties | 20141007 |
EP-3204429-A1 | Method for producing polydienes and polydiene copolymers with reduced cold flow | 20141007 |
EP-3204429-B1 | Method for producing polydienes and polydiene copolymers with reduced cold flow | 20141007 |
PMID | Publication Date | Title | Journal |
17064037 | 20061027 | Structure reassignment and synthesis of Jenamidines A1/A2, synthesis of (+)-NP25302, and formal synthesis of SB-311009 analogues | The Journal of organic chemistry |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.05315777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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