3,5-Bis(trifluoromethyl)phenol - CAS 349-58-6
Catalog: |
BB022374 |
Product Name: |
3,5-Bis(trifluoromethyl)phenol |
CAS: |
349-58-6 |
Synonyms: |
3,5-bis(trifluoromethyl)phenol |
IUPAC Name: | 3,5-bis(trifluoromethyl)phenol |
Description: | 3,5-Bis(trifluoromethyl)phenol (CAS# 349-58-6) is a useful research chemical. |
Molecular Weight: | 230.11 |
Molecular Formula: | C8H4F6O |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)O)C(F)(F)F |
InChI: | InChI=1S/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H |
InChI Key: | ODSXJQYJADZFJX-UHFFFAOYSA-N |
Boiling Point: | 97 °C (50 mmHg) |
Density: | 1.511 g/cm3 |
Appearance: | Clear slightly brown liquid |
MDL: | MFCD00000386 |
LogP: | 3.42980 |
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 |
CN-112225897-A | Trifluoromethyl substituted aromatic diamine compound containing aromatic ester structure and preparation method thereof | 20201019 |
CN-111925400-A | Redox-responsive metalloporphyrin complex, preparation method thereof and preparation method of polylactic acid | 20200817 |
CN-112062783-A | Ultraviolet-responsive metalloporphyrin complex, preparation method thereof and preparation method of polycarbonate | 20200817 |
CN-112062783-B | Ultraviolet-responsive metalloporphyrin complex, preparation method thereof and preparation method of polycarbonate | 20200817 |
CN-111471134-A | Active hydrogen tolerant catalyst, preparation method thereof and ultra-low molecular weight poly (carbonate-ether) polyol | 20200515 |
PMID | Publication Date | Title | Journal |
21353727 | 20110501 | Discovery of novel SERCA inhibitors by virtual screening of a large compound library | European journal of medicinal chemistry |
19777813 | 20090601 | [Medium optimization for enhanced production of carbonyl reductase by Candida tropicalis 104 by response surface methodology] | Sheng wu gong cheng xue bao = Chinese journal of biotechnology |
17099269 | 20061101 | Association of tris(pentane-2,4-dionato)chromium(III) with modifiers of hydrogen-bond donors in supercritical carbon dioxide | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry |
14521227 | 20030801 | Kinetic study of the oxidation of phenolic derivatives of alpha,alpha,alpha-trifluorotoluene by singlet molecular oxygen [O2(1delta(g)) and hydrogen phosphate radicals | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.01663372 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.01663372 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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