Phenoxyacetonitrile - CAS 3598-14-9
Catalog: |
BB022822 |
Product Name: |
Phenoxyacetonitrile |
CAS: |
3598-14-9 |
Synonyms: |
2-phenoxyacetonitrile |
IUPAC Name: | 2-phenoxyacetonitrile |
Description: | Phenoxyacetonitrile (CAS# 3598-14-9) is a building block that has been used as a reactant for the preparation of [[(oxo)pyridazinyl]phenoxy]acetonitrile derivatives to be used as vasodilators. |
Molecular Weight: | 133.15 |
Molecular Formula: | C8H7NO |
Canonical SMILES: | C1=CC=C(C=C1)OCC#N |
InChI: | InChI=1S/C8H7NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2 |
InChI Key: | VLLSCJFPVSQXDM-UHFFFAOYSA-N |
Boiling Point: | 76-238 °C (0.5 torr) |
Density: | 1.09 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00052017 |
LogP: | 1.58898 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2019218288-A | Method for producing cyclic aryloxyphosphazene | 20180619 |
US-2020369697-A1 | Molybdenum oxo alkylidene compounds, methods of making the same and use thereof in metathesis reactions | 20180209 |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
WO-2019149812-A1 | Electrolyte composition for electrochemical cell for high-temperature applications | 20180201 |
JP-2019123693-A | Tetraaminodichlorocyclotriphosphazene and method for producing the same | 20180117 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.052763847 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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