2-Fluoro-6-(trifluoromethyl)phenylacetonitrile - CAS 179946-34-0
Catalog: |
BB013622 |
Product Name: |
2-Fluoro-6-(trifluoromethyl)phenylacetonitrile |
CAS: |
179946-34-0 |
Synonyms: |
2-[2-fluoro-6-(trifluoromethyl)phenyl]acetonitrile |
IUPAC Name: | 2-[2-fluoro-6-(trifluoromethyl)phenyl]acetonitrile |
Description: | 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile (CAS# 179946-34-0) is a useful research chemical. |
Molecular Weight: | 203.14 |
Molecular Formula: | C9H5F4N |
Canonical SMILES: | C1=CC(=C(C(=C1)F)CC#N)C(F)(F)F |
InChI: | InChI=1S/C9H5F4N/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-3H,4H2 |
InChI Key: | SFLYZUWDTDYATN-UHFFFAOYSA-N |
Boiling Point: | 229 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.363 g/cm3 |
MDL: | MFCD00061184 |
LogP: | 2.91058 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
WO-2019149812-A1 | Electrolyte composition for electrochemical cell for high-temperature applications | 20180201 |
AU-2018251087-A1 | Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof | 20170410 |
AU-2018251758-A1 | Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof | 20170410 |
CA-3059273-A1 | Substituted n-arylethyl-2-arylquinoline-4-carboxamides and use thereof | 20170410 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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