Pentafluoronitrobenzene - CAS 880-78-4
Catalog: |
BB038730 |
Product Name: |
Pentafluoronitrobenzene |
CAS: |
880-78-4 |
Synonyms: |
1,2,3,4,5-pentafluoro-6-nitrobenzene |
IUPAC Name: | 1,2,3,4,5-pentafluoro-6-nitrobenzene |
Description: | Pentafluoronitrobenzene (CAS# 880-78-4) is a useful research chemical. |
Molecular Weight: | 213.06 |
Molecular Formula: | C6F5NO2 |
Canonical SMILES: | C1(=C(C(=C(C(=C1F)F)F)F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C6F5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9 |
InChI Key: | INUOFQAJCYUOJR-UHFFFAOYSA-N |
Boiling Point: | 158 °C |
Purity: | 95 % |
Density: | 1.656 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
MDL: | MFCD00007049 |
LogP: | 2.81350 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112374994-A | Preparation method of pentafluoroaniline | 20201208 |
GB-2576704-A | Cyanoacrylate compositions | 20180816 |
WO-2020035579-A1 | Cyanoacrylate compositions | 20180816 |
CN-112703235-A | Cyanoacrylate compositions | 20180816 |
EP-3837328-A1 | Cyanoacrylate compositions | 20180816 |
PMID | Publication Date | Title | Journal |
18327308 | 20080321 | Electron capture by pentafluoronitrobenzene and pentafluorobenzonitrile | Physical chemistry chemical physics : PCCP |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.98491905 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.98491905 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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