4-Methoxy-3-nitrobenzotrifluoride - CAS 394-25-2
Catalog: |
BB023974 |
Product Name: |
4-Methoxy-3-nitrobenzotrifluoride |
CAS: |
394-25-2 |
Synonyms: |
1-methoxy-2-nitro-4-(trifluoromethyl)benzene; 1-methoxy-2-nitro-4-(trifluoromethyl)benzene |
IUPAC Name: | 1-methoxy-2-nitro-4-(trifluoromethyl)benzene |
Description: | 4-Methoxy-3-nitrobenzotrifluoride (CAS# 394-25-2) is a useful research chemical. |
Molecular Weight: | 221.13 |
Molecular Formula: | C8H6F3NO3 |
Canonical SMILES: | COC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6F3NO3/c1-15-7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3 |
InChI Key: | MAAFHLOZHBKYTG-UHFFFAOYSA-N |
Boiling Point: | 152-153 °C / 28 mmHg (lit.) |
Density: | 1.392 g/cm3 |
Solubility: | Other solvents(Soluble) : Benzene, Toluene |
MDL: | MFCD00007099 |
LogP: | 3.14540 |
GHS Hazard Statement: | H314 (95.45%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2016194279-A1 | One pot process for the conversion of aroyl chlorides to acyl thioureas | 20121209 |
WO-2014087431-A1 | One pot process for the conversion of aroyl chlorides to acyl thioureas | 20121209 |
EP-2828271-B1 | Multi-element standard for nuclear magnetic resonance spectroscopy | 20120323 |
AU-2009289378-A1 | Novel benzamides, production thereof, and use thereof as medicaments | 20080902 |
CA-2735208-A1 | Novel benzamides, production thereof, and use thereof as medicaments | 20080902 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.02997754 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.02997754 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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