2-Methoxybenzonitrile - CAS 6609-56-9
Catalog: |
BB032911 |
Product Name: |
2-Methoxybenzonitrile |
CAS: |
6609-56-9 |
Synonyms: |
2-methoxybenzonitrile |
IUPAC Name: | 2-methoxybenzonitrile |
Description: | 2-Methoxybenzonitrile (CAS# 6609-56-9) is a useful research chemical. |
Molecular Weight: | 133.15 |
Molecular Formula: | C8H7NO |
Canonical SMILES: | COC1=CC=CC=C1C#N |
InChI: | InChI=1S/C8H7NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3 |
InChI Key: | FSTPMFASNVISBU-UHFFFAOYSA-N |
Boiling Point: | 135 ℃ (12 mmHg) |
Density: | 1.093 g/cm3 |
MDL: | MFCD00001783 |
LogP: | 1.56688 |
GHS Hazard Statement: | H302 (13.04%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112851521-A | Method for preparing primary amine by catalytic reduction of nitrile compound with nano porous palladium catalyst | 20201230 |
CN-111978354-A | Half-sandwich ruthenium complex containing carborane Schiff base ligand and preparation and application thereof | 20200831 |
CN-111635334-A | Method for generating nitrile by catalyzing primary amine acceptor-free dehydrogenation through Ru complex | 20200713 |
CN-111606823-A | Method for converting aromatic aldehyde into aromatic nitrile by using inorganic ammonium as nitrogen source and promoted by sulfur powder | 20200624 |
CN-111620764-A | Selective ether bond breaking method of aryl alkyl ether | 20200324 |
PMID | Publication Date | Title | Journal |
20857913 | 20101018 | Chemoselectivity diversity in the reaction of LiNC6F5SiMe3 with nitriles and the synthesis, structure, and reactivity of zirconium mono- and tris[2-(2-pyridyl)tetrafluorobenzimidazolate] complexes | Inorganic chemistry |
18440859 | 20081201 | Theoretical surface-enhanced Raman spectra study of substituted benzenes II. Density functional theoretical SERS modelling of o-, m-, and p-methoxybenzonitrile | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 147 |
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: | 1 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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