4-Fluoro-2-(trifluoromethyl)phenylacetonitrile - CAS 80141-94-2
Catalog: |
BB036469 |
Product Name: |
4-Fluoro-2-(trifluoromethyl)phenylacetonitrile |
CAS: |
80141-94-2 |
Synonyms: |
2-[4-fluoro-2-(trifluoromethyl)phenyl]acetonitrile |
IUPAC Name: | 2-[4-fluoro-2-(trifluoromethyl)phenyl]acetonitrile |
Description: | 4-Fluoro-2-(trifluoromethyl)phenylacetonitrile (CAS# 80141-94-2) is a useful research chemical. |
Molecular Weight: | 203.14 |
Molecular Formula: | C9H5F4N |
Canonical SMILES: | C1=CC(=C(C=C1F)C(F)(F)F)CC#N |
InChI: | InChI=1S/C9H5F4N/c10-7-2-1-6(3-4-14)8(5-7)9(11,12)13/h1-2,5H,3H2 |
InChI Key: | YTIAVOXEDRIPNR-UHFFFAOYSA-N |
Boiling Point: | 222-223 °C |
Purity: | 95 % |
Density: | 1.364 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00061182 |
LogP: | 2.91058 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] |
Precautionary Statement: | P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113087704-A | Preparation method and application of protein degradation agent compound | 20191223 |
WO-2021129653-A1 | Protein degradation agent compound preparation method and application | 20191223 |
CN-112390852-A | Compound as protein degradation agent and preparation method and application thereof | 20190814 |
JP-2012051806-A | Imidazolyl pyrazine derivatives | 20090226 |
TW-201031662-A | Imidazolylpyrazine derivatives | 20090226 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.03581181 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.03581181 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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