2-Bromo-5-fluoroanisole - CAS 450-88-4
Catalog: |
BB025759 |
Product Name: |
2-Bromo-5-fluoroanisole |
CAS: |
450-88-4 |
Synonyms: |
1-bromo-4-fluoro-2-methoxybenzene |
IUPAC Name: | 1-bromo-4-fluoro-2-methoxybenzene |
Description: | 2-Bromo-5-fluoroanisole (CAS# 450-88-4) is a useful research chemical. |
Molecular Weight: | 205.02 |
Molecular Formula: | C7H6BrFO |
Canonical SMILES: | COC1=C(C=CC(=C1)F)Br |
InChI: | InChI=1S/C7H6BrFO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3 |
InChI Key: | KGYXKRGMSUHYCY-UHFFFAOYSA-N |
Boiling Point: | 143-145 °C |
Purity: | 98 % |
Density: | 1.5983 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | Room temperature. |
MDL: | MFCD04973752 |
LogP: | 2.59680 |
GHS Hazard Statement: | H302 (85.11%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021102896-A1 | Organic compounds | 20191129 |
WO-2021105261-A1 | Trpm8 modulators | 20191129 |
TW-202043200-A | 2-oxo-1,2-dihydropyridin derivative, a preparation method thereof and a medical use thereof | 20190125 |
WO-2020151728-A1 | 2-oxo-1,2-dihydropyridin derivative, preparation method therefor and medical uses thereof | 20190125 |
CN-112996774-A | 2-oxo-1, 2-dihydropyridine derivatives, preparation method and application thereof in medicines | 20190125 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.95861 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.95861 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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