4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene - CAS 105529-58-6
Catalog: |
BB001662 |
Product Name: |
4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene |
CAS: |
105529-58-6 |
Synonyms: |
4-bromo-2-fluoro-1-(trifluoromethoxy)benzene; 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene |
IUPAC Name: | 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene |
Description: | 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene (CAS# 105529-58-6) is a useful research chemical. |
Molecular Weight: | 259.00 |
Molecular Formula: | C7H3BrF4O |
Canonical SMILES: | C1=CC(=C(C=C1Br)F)OC(F)(F)F |
InChI: | InChI=1S/C7H3BrF4O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H |
InChI Key: | SBSFDYRKNUCGBZ-UHFFFAOYSA-N |
Boiling Point: | 78 °C (48 torr) |
Density: | 1.724 g/cm3 |
Appearance: | Clear colorless liquid |
MDL: | MFCD01861132 |
LogP: | 3.48680 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021078999-A1 | Plasma kallikrein inhibitors and uses thereof | 20190918 |
WO-2021055621-A1 | Plasma kallikrein inhibitors and uses thereof | 20190918 |
WO-2020146612-A1 | Esters and carbamates as modulators of sodium channels | 20190110 |
WO-2020146682-A1 | Carboxamides as modulators of sodium channels | 20190110 |
CN-110760313-A | Liquid crystal compound, liquid crystal composition, liquid crystal display element and liquid crystal display | 20180726 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.93034 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.93034 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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