4-Nitro-3-(trifluoromethyl)phenol - CAS 88-30-2
Catalog: |
BB038816 |
Product Name: |
4-Nitro-3-(trifluoromethyl)phenol |
CAS: |
88-30-2 |
Synonyms: |
4-nitro-3-(trifluoromethyl)phenol |
IUPAC Name: | 4-nitro-3-(trifluoromethyl)phenol |
Description: | 4-Nitro-3-(trifluoromethyl)phenol (CAS# 88-30-2) is a useful research chemical. |
Molecular Weight: | 207.11 |
Molecular Formula: | C7H4F3NO3 |
Canonical SMILES: | C1=CC(=C(C=C1O)C(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H4F3NO3/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14/h1-3,12H |
InChI Key: | ZEFMBAFMCSYJOO-UHFFFAOYSA-N |
Boiling Point: | 135-138 °C / 0.01 mmHg (lit.) |
Melting Point: | 76 °C |
Purity: | 98 % |
Density: | 1.554 g/cm3 |
Solubility: | In water, 5000 mg/L at 25 °C |
Appearance: | Yellow to orange crystalline solid |
Decomposition: | When heated to decomposition it emits toxic vapors of /nitrogen oxides and hydrogen fluoride |
MDL: | MFCD00014714 |
LogP: | 2.84240 |
Vapor Pressure: | 0.00133 [mmHg] |
GHS Hazard Statement: | H301 (19.61%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112225897-A | Trifluoromethyl substituted aromatic diamine compound containing aromatic ester structure and preparation method thereof | 20201019 |
KR-102128261-B1 | Preparation of water-soluble acryl-modified phenol-modified epoxy resin, water-soluble acryl-modified phenol-modified epoxy resin preparedthereby, and aqueous paint composition comprising the same | 20191015 |
WO-2021075800-A1 | Method for preparing water-soluble acrylic-modified phenolic-modified epoxy resin, water-soluble acrylic-modified phenolic-modified epoxy resin prepared thereby, and aqueous coating composition comprising same | 20191015 |
EP-3771335-A1 | Repellent composition | 20190731 |
EP-3771336-A1 | Repellent composition | 20190731 |
PMID | Publication Date | Title | Journal |
33767757 | 20210301 | Incipient resistance to an effective pesticide results from genetic adaptation and the canalization of gene expression | Evolutionary applications |
21172453 | 20110401 | The lampricide 3-trifluoromethyl-4-nitrophenol (TFM) uncouples mitochondrial oxidative phosphorylation in both sea lamprey (Petromyzon marinus) and TFM-tolerant rainbow trout (Oncorhynchus mykiss) | Comparative biochemistry and physiology. Toxicology & pharmacology : CBP |
19426989 | 20091113 | Multi-residue determination of phenolic and salicylanilide anthelmintics and related compounds in bovine kidney by liquid chromatography-tandem mass spectrometry | Journal of chromatography. A |
19716611 | 20091004 | Failure of ATP supply to match ATP demand: the mechanism of toxicity of the lampricide, 3-trifluoromethyl-4-nitrophenol (TFM), used to control sea lamprey (Petromyzon marinus) populations in the Great Lakes | Aquatic toxicology (Amsterdam, Netherlands) |
18754469 | 20080801 | Molecular interactions of pesticides at the soil-water interface | Environmental science & technology |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.01432748 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.01432748 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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