5-Cyano-2-fluoro-6-picoline - CAS 375368-85-7
Catalog: |
BB023328 |
Product Name: |
5-Cyano-2-fluoro-6-picoline |
CAS: |
375368-85-7 |
Synonyms: |
3-Pyridinecarbonitrile, 6-fluoro-2-methyl-; 6-Fluoro-2-methyl-3-pyridinecarbonitrile; 6-Fluoro-2-methylnicotinonitrile |
IUPAC Name: | 6-fluoro-2-methylpyridine-3-carbonitrile |
Molecular Weight: | 136.13 |
Molecular Formula: | C7H5FN2 |
Canonical SMILES: | CC1=C(C=CC(=N1)F)C#N |
InChI: | InChI=1S/C7H5FN2/c1-5-6(4-9)2-3-7(8)10-5/h2-3H,1H3 |
InChI Key: | QHANDBDQIAZNHP-UHFFFAOYSA-N |
Boiling Point: | 229.9±35.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.19±0.1 g/cm3 |
Appearance: | Yellow to brown solid |
Storage: | Store at 2-8°C under inert gas (nitrogen or Argon) |
LogP: | 1.40078 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; 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+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-106467501-A | Novel antivirus compound | 20150818 |
EP-3339287-A1 | New type of antiviral compound | 20150818 |
EP-3339287-B1 | New type of antiviral compound | 20150818 |
US-10252987-B2 | Type of antiviral compound | 20150818 |
US-2018208549-A1 | New type of antiviral compound | 20150818 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.04367633 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.04367633 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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