3-Fluoro-5-methoxybenzonitrile - CAS 439280-18-9
Catalog: |
BB025497 |
Product Name: |
3-Fluoro-5-methoxybenzonitrile |
CAS: |
439280-18-9 |
Synonyms: |
3-fluoro-5-methoxybenzonitrile; 3-fluoro-5-methoxybenzonitrile |
IUPAC Name: | 3-fluoro-5-methoxybenzonitrile |
Description: | 3-Fluoro-5-methoxybenzonitrile (CAS# 439280-18-9) is a useful research chemical. |
Molecular Weight: | 151.14 |
Molecular Formula: | C8H6FNO |
Canonical SMILES: | COC1=CC(=CC(=C1)C#N)F |
InChI: | InChI=1S/C8H6FNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,1H3 |
InChI Key: | GWZXPLKMHPCXDE-UHFFFAOYSA-N |
Boiling Point: | 203.498 °C at 760 mmHg |
Density: | 1.186 g/cm3 |
MDL: | MFCD06797883 |
LogP: | 1.70598 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110911753-A | Non-aqueous electrolyte and lithium ion battery | 20191213 |
WO-2021093795-A1 | Rock inhibitor, preparation method therefor and use thereof | 20191115 |
WO-2020108720-A1 | Novel tetrazine compounds for in vivo imaging | 20181130 |
EP-3887359-A1 | Novel tetrazine compounds for in vivo imaging | 20181130 |
WO-2018031680-A1 | Novel compounds, uses and methods for their preparation | 20160810 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.043341977 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.043341977 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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