4-Bromo-3-nitroanisole - CAS 5344-78-5
Catalog: |
BB028221 |
Product Name: |
4-Bromo-3-nitroanisole |
CAS: |
5344-78-5 |
Synonyms: |
Benzene, 1-bromo-4-methoxy-2-nitro-; Anisole, 4-bromo-3-nitro-; 1-Bromo-2-nitro-4-methoxybenzene; 2-Bromo-5-methoxy-1-nitrobenzene; 2-Bromo-5-methoxynitrobenzene; 4-Methoxy-2-nitrobromobenzene; NSC 1161 |
Related CAS: | 919522-59-1 (Deleted CAS)
|
IUPAC Name: | 1-bromo-4-methoxy-2-nitrobenzene |
Molecular Weight: | 232.03 |
Molecular Formula: | C7H6BrNO3 |
Canonical SMILES: | COC1=CC(=C(C=C1)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3 |
InChI Key: | KCOBIBRGPCFIGF-UHFFFAOYSA-N |
Boiling Point: | 153-154°C at 13 Torr |
Melting Point: | 32°C |
Purity: | 95% |
Density: | 1.640±0.06 g/cm3 |
Appearance: | Light yellow powder |
MDL: | MFCD00051511 |
LogP: | 2.88910 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111925320-A | Method for efficiently synthesizing polysubstituted 2-pyridone compound | 20200812 |
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WO-2020139566-A1 | Pesticidal compositions and methods | 20181226 |
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Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.95311 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.95311 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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