2-Bromo-6-methoxynaphthalene - CAS 5111-65-9
Catalog: |
BB027332 |
Product Name: |
2-Bromo-6-methoxynaphthalene |
CAS: |
5111-65-9 |
Synonyms: |
Naphthalene, 2-bromo-6-methoxy-; 2-Methoxy-6-bromonaphthalene; 6-Bromo-2-methoxynaphthalene; 6-Methoxy-2-bromonaphthalene; 6-Methoxynaphth-2-yl bromide; NSC 3236; Naproxen Impurity N; Naproxen EP Impurity N |
IUPAC Name: | 2-bromo-6-methoxynaphthalene |
Description: | A metabolite of Naproxen, which is a non-selective COX inhibitor. |
Molecular Weight: | 237.09 |
Molecular Formula: | C11H9BrO |
Canonical SMILES: | COC1=CC2=C(C=C1)C=C(C=C2)Br |
InChI: | InChI=1S/C11H9BrO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H3 |
InChI Key: | AYFJBMBVXWNYLT-UHFFFAOYSA-N |
Boiling Point: | 180-182°C at 14 Torr |
Melting Point: | 106-107°C |
Purity: | ≥95% |
Density: | 1.447±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to off-white solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00004062 |
LogP: | 3.61090 |
GHS Hazard Statement: | H302 (95.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021117622-A1 | Condensed polycyclic aromatic compound | 20191210 |
WO-2021105117-A1 | Substituted aminoquinolones as dgkalpha inhibitors for immune activation | 20191128 |
WO-2021059999-A1 | Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, polymer, and diamine | 20190924 |
WO-2021060268-A1 | Liquid crystal aligning agent for vertical alignment, liquid crystal alignment film, and liquid crystal display element | 20190924 |
WO-2021060270-A1 | Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element | 20190924 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.98368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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