4-Methyl-2-nitroanisole - CAS 119-10-8
Catalog: |
BB004410 |
Product Name: |
4-Methyl-2-nitroanisole |
CAS: |
119-10-8 |
Synonyms: |
1-methoxy-4-methyl-2-nitrobenzene |
IUPAC Name: | 1-methoxy-4-methyl-2-nitrobenzene |
Description: | 4-Methyl-2-nitroanisole (CAS# 119-10-8) is a useful research chemical compound. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC1=CC(=C(C=C1)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C8H9NO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3 |
InChI Key: | LGNMURXRPLMVJI-UHFFFAOYSA-N |
Boiling Point: | 154 °C (14 mmHg) |
Melting Point: | 41860 °C |
Purity: | 95 % |
Density: | 1.205 g/cm3 |
Appearance: | Colorless to brown liquid |
MDL: | MFCD00024540 |
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 |
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PMID | Publication Date | Title | Journal |
21577597 | 20090819 | 1-Dibromo-methyl-4-meth-oxy-2-nitro-benzene | Acta crystallographica. Section E, Structure reports online |
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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