4-Fluorophenylacetonitrile - CAS 459-22-3
Catalog: |
BB026017 |
Product Name: |
4-Fluorophenylacetonitrile |
CAS: |
459-22-3 |
Synonyms: |
2-(4-fluorophenyl)acetonitrile |
IUPAC Name: | 2-(4-fluorophenyl)acetonitrile |
Description: | 4-Fluorophenylacetonitrile (CAS# 459-22-3) is used as a reagent in the synthesis of novel Daidzein analogs which exhibit anti-influenza activity in vitro. It is also used as a reagent in the synthesis of benzylbenzo[d]thiazole sulfonamides which exhibit anti-inflammatory activity. |
Molecular Weight: | 135.14 |
Molecular Formula: | C8H6FN |
Canonical SMILES: | C1=CC(=CC=C1CC#N)F |
InChI: | InChI=1S/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2 |
InChI Key: | JHQBLYITVCBGTO-UHFFFAOYSA-N |
Boiling Point: | 119-120 °C (18 torr) |
Density: | 1.12 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00001917 |
LogP: | 1.89178 |
GHS Hazard Statement: | H302 (95.92%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (95.92%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (95.92%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (93.88%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112939794-A | Phosphorescent emitting material with high quantum yield, and preparation method and application thereof | 20210224 |
CN-113061098-A | Amide compound and derivative thereof, preparation method, pharmaceutical composition and application | 20210118 |
CN-112409124-A | Preparation method and application of epoxiconazole intermediate | 20201211 |
KR-20210122480-A | Non-aqueous electrolyte and lithium secondary battery comprsing the same | 20200401 |
WO-2021194220-A1 | Electrolyte additive for secondary battery, non-aqueous electrolyte containing same for lithium secondary battery, and lithium secondary battery | 20200326 |
PMID | Publication Date | Title | Journal |
22589998 | 20120401 | 4-[5-Amino-4-(4-fluoro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-1-yl]benzo-nitrile | Acta crystallographica. Section E, Structure reports online |
22412537 | 20120301 | 4-(4-Fluoro-phen-yl)-1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-5-amine | Acta crystallographica. Section E, Structure reports online |
22412538 | 20120301 | 4-(4-Fluoro-phen-yl)-1-(4-nitro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-5-amine | Acta crystallographica. Section E, Structure reports online |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.048427358 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.048427358 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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