2,3,4,6-Tetrafluoronitrobenzene - CAS 314-41-0
Catalog: |
BB020923 |
Product Name: |
2,3,4,6-Tetrafluoronitrobenzene |
CAS: |
314-41-0 |
Synonyms: |
1,2,3,5-tetrafluoro-4-nitrobenzene |
IUPAC Name: | 1,2,3,5-tetrafluoro-4-nitrobenzene |
Description: | 2,3,4,6-Tetrafluoronitrobenzene (CAS# 314-41-0) is a useful research chemical. |
Molecular Weight: | 195.07 |
Molecular Formula: | C6HF4NO2 |
Canonical SMILES: | C1=C(C(=C(C(=C1F)F)F)[N+](=O)[O-])F |
InChI: | InChI=1S/C6HF4NO2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H |
InChI Key: | FDLCUAUNAWWSBX-UHFFFAOYSA-N |
Boiling Point: | 78-79 °C / 20 mmHg |
Melting Point: | -5 °C |
Purity: | 95 % |
Density: | 1.51 g/cm3 |
Appearance: | Yellow liquid |
MDL: | MFCD00011687 |
LogP: | 2.67440 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020057403-A1 | Indole derivative and medical application thereof | 20180918 |
CN-112996784-A | Indole derivatives and their use in medicine | 20180918 |
WO-2020056089-A1 | Phenoxy-pyridyl-pyrimidine compounds and methods of use | 20180912 |
TW-202024051-A | Phenoxy-pyridyl-pyrimidine compounds and methods of use | 20180912 |
EP-3849664-A1 | Phenoxy-pyridyl-pyrimidine compounds and methods of use | 20180912 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.99434092 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.99434092 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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