3-Methoxypropionitrile - CAS 110-67-8
Catalog: |
BB002656 |
Product Name: |
3-Methoxypropionitrile |
CAS: |
110-67-8 |
Synonyms: |
Propanenitrile, 3-methoxy-; Propionitrile, 3-methoxy-; 1-Cyano-2-methoxyethane; 1-Methoxy-2-cyanoethane; 2-Cyanoethyl methyl ether; Methyl β-cyanoethyl ether; NSC 4090; NSC 61486; β-Methoxypropionitrile |
IUPAC Name: | 3-methoxypropanenitrile |
Molecular Weight: | 85.10 |
Molecular Formula: | C4H7NO |
Canonical SMILES: | COCCC#N |
InChI: | InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3 |
InChI Key: | OOWFYDWAMOKVSF-UHFFFAOYSA-N |
Boiling Point: | 163°C |
Melting Point: | -63°C |
Flash Point: | 65 °C |
Purity: | ≥95% |
Density: | 0.9420 g/cm3 |
Appearance: | Clear colorless to yellow liquid |
Storage: | Store at 2-8°C under inert gas (nitrogen or Argon) |
MDL: | MFCD00001958 |
LogP: | 0.54648 |
Refractive Index: | 1.40 |
GHS Hazard Statement: | H315 (27.03%): 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 |
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PMID | Publication Date | Title | Journal |
22931131 | 20120921 | Stereocontrolled solid-phase synthesis of phosphorothioate oligoribonucleotides using 2'-O-(2-cyanoethoxymethyl)-nucleoside 3'-O-oxazaphospholidine monomers | The Journal of organic chemistry |
22737103 | 20120501 | tert-Butyl 6-amino-5-cyano-2-(2-meth-oxy-eth-yl)nicotinate | Acta crystallographica. Section E, Structure reports online |
22297154 | 20120202 | Increases in solar conversion efficiencies of the ZrO2 nanofiber-doped TiO2 photoelectrode for dye-sensitized solar cells | Nanoscale research letters |
22085223 | 20120110 | The effect of an atomically deposited layer of alumina on NiO in P-type dye-sensitized solar cells | Langmuir : the ACS journal of surfaces and colloids |
22115421 | 20111124 | Mesoporous nitrogen-doped TiO2 sphere applied for quasi-solid-state dye-sensitized solar cell | Nanoscale research letters |
Complexity: | 61.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 85.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 85.052763847 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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