2-Methyl-3-nitroanisole - CAS 4837-88-1
Catalog: |
BB026532 |
Product Name: |
2-Methyl-3-nitroanisole |
CAS: |
4837-88-1 |
Synonyms: |
1-methoxy-2-methyl-3-nitrobenzene |
IUPAC Name: | 1-methoxy-2-methyl-3-nitrobenzene |
Description: | 2-Methyl-3-nitroanisole (CAS# 4837-88-1) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC1=C(C=CC=C1OC)[N+](=O)[O-] |
InChI: | InChI=1S/C8H9NO3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3 |
InChI Key: | HQCZLEAGIOIIMC-UHFFFAOYSA-N |
Boiling Point: | 260.9 °C at 760 mmHg, 94-96 °C / 0.5 mmHg |
Purity: | 98 % |
Density: | 1.18 g/cm3 |
Appearance: | Yellow to tan crystalline powder |
MDL: | MFCD00007159 |
LogP: | 2.43500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111029579-A | Calcium ion battery positive electrode material, positive electrode and calcium ion battery | 20191212 |
CN-111029579-B | Calcium ion battery positive electrode material, positive electrode and calcium ion battery | 20191212 |
WO-2020219720-A1 | Allosteric activators of the alpha1a -adrenergic receptor | 20190423 |
US-2020298212-A1 | Iron oxide supported rhodium catalyst for nitroarene reduction | 20190320 |
CN-108530335-B | Indole compound and preparation method and application thereof | 20180521 |
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: | 2.7 |
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