5-Methyl-2-nitroanisole - CAS 38512-82-2
Catalog: |
BB023694 |
Product Name: |
5-Methyl-2-nitroanisole |
CAS: |
38512-82-2 |
Synonyms: |
2-methoxy-4-methyl-1-nitrobenzene |
IUPAC Name: | 2-methoxy-4-methyl-1-nitrobenzene |
Description: | 5-Methyl-2-nitroanisole (CAS# 38512-82-2) is an impurity of Fenitrothion, an insecticide. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC1=CC(=C(C=C1)[N+](=O)[O-])OC |
InChI: | InChI=1S/C8H9NO3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H3 |
InChI Key: | XCOUVPWGTSKINY-UHFFFAOYSA-N |
Boiling Point: | 292 °C at 760 mmHg |
Density: | 1.18 g/cm3 |
Appearance: | Light yellow crystalline powder |
MDL: | MFCD00007367 |
LogP: | 2.43500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020248279-A1 | Continuous synthesis method for substituted benzoate organic matter | 20190614 |
WO-2019191502-A1 | Compounds for treatment of cardiac arrhythmias and heart failure | 20180329 |
AU-2019243561-A1 | Compounds for treatment of cardiac arrhythmias and heart failure | 20180329 |
CA-3093551-A1 | Compounds for treatment of cardiac arrhythmias and heart failure | 20180329 |
CN-111936466-A | Compounds for the treatment of cardiac arrhythmias and heart failure | 20180329 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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