2,3,4,5,6-Pentafluoroaniline - CAS 771-60-8
Catalog: |
BB035845 |
Product Name: |
2,3,4,5,6-Pentafluoroaniline |
CAS: |
771-60-8 |
Synonyms: |
2,3,4,5,6-pentafluoroaniline |
IUPAC Name: | 2,3,4,5,6-pentafluoroaniline |
Description: | 2,3,4,5,6-Pentafluoroaniline (CAS# 771-60-8) is a useful research chemical. |
Molecular Weight: | 183.08 |
Molecular Formula: | C6H2F5N |
Canonical SMILES: | C1(=C(C(=C(C(=C1F)F)F)F)F)N |
InChI: | InChI=1S/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2 |
InChI Key: | NOXLGCOSAFGMDV-UHFFFAOYSA-N |
Boiling Point: | 153 °C |
Melting Point: | 33-38 °C |
Purity: | 95 % |
Density: | 1.744 g/cm3 |
Appearance: | White crystals. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007643 |
LogP: | 2.54550 |
GHS Hazard Statement: | H302 (12.24%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021099842-A1 | Pentafluorobenzenesulfonamide derivatives and uses thereof | 20191122 |
WO-2021118782-A2 | Polymeric compounds including an acceptor dye and donor luminophore | 20191120 |
US-2021147706-A1 | Conductive structure having self-assembled protective layer and self-assembled coating composition | 20191114 |
WO-2021015522-A1 | Novel compound and organic light emitting device comprising same | 20190724 |
WO-2020241665-A1 | Macrophage imaging agent | 20190531 |
PMID | Publication Date | Title | Journal |
22364551 | 20120801 | Pentafluorophenylammonium triflate as a mild and new organocatalyst for acylation of alcohols, phenols, and amines under solvent-free condition | Combinatorial chemistry & high throughput screening |
21589472 | 20101113 | Low-temperature redetermination of 1,3-bis-(penta-fluoro-phen-yl)triazene | Acta crystallographica. Section E, Structure reports online |
19436908 | 20090528 | Three novel anions based on pentafluorophenyl amine combined with two new synthetic strategies for the synthesis of highly lipophilic ionic liquids | Chemical communications (Cambridge, England) |
19281257 | 20090420 | Proton-transfer and H2-elimination reactions of trimethylamine alane: role of dihydrogen bonding and Lewis acid-base interactions | Inorganic chemistry |
21581096 | 20081031 | 2,4,6-Trifluoro-aniline | Acta crystallographica. Section E, Structure reports online |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.01073988 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.01073988 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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