2-Methoxyphenyl isothiocyanate - CAS 3288-04-8
Catalog: |
BB021457 |
Product Name: |
2-Methoxyphenyl isothiocyanate |
CAS: |
3288-04-8 |
Synonyms: |
Benzene, 1-isothiocyanato-2-methoxy-; Isothiocyanic acid, o-methoxyphenyl ester; 1-Isothiocyanato-2-(methyloxy)benzene; o-Anisyl isothiocyanate; o-Methoxyphenyl isothiocyanate |
IUPAC Name: | 1-isothiocyanato-2-methoxybenzene |
Description: | O-Methoxyphenyl Isothiocyanate has been shown to have insecticidal activity against yellow-fever mosquito. |
Molecular Weight: | 165.21 |
Molecular Formula: | C8H7NOS |
Canonical SMILES: | COC1=CC=CC=C1N=C=S |
InChI: | InChI=1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3 |
InChI Key: | QKAOOWJWWKWWOZ-UHFFFAOYSA-N |
Boiling Point: | 138-139°C |
Melting Point: | 156-157°C |
Purity: | ≥95% |
Density: | 1.08±0.1 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | Clear Light Yellow Liquid |
Storage: | Store at RT |
MDL: | MFCD00011675 |
LogP: | 2.42950 |
GHS Hazard Statement: | H302 (11.36%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111606865-A | Asymmetric substituted 1,3, 5-triazine compound and preparation method and application thereof | 20200608 |
WO-2020216774-A1 | 4h-pyrrolo[3,2-c]pyridin-4-one derivatives | 20190424 |
CN-109900673-A | The method for improving biomass coke tar heavy metal element detection sensitivity | 20190419 |
CN-109900673-B | Method for improving detection sensitivity of heavy metal elements in biomass tar | 20190419 |
WO-2020182990-A1 | Fused ring pyrimidone derivatives for use in the treatment of hbv infection or of hbv-induced diseases | 20190314 |
PMID | Publication Date | Title | Journal |
22381801 | 20120601 | 2-Methoxyphenyl isocyanate and 2-Methoxyphenyl isothiocyanate: conformers, vibration structure and multiplet Fermi resonance | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.02483502 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.02483502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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