4-Bromo-2-(trifluoromethoxy)benzenesulfonyl chloride - CAS 175278-14-5
Catalog: |
BB013117 |
Product Name: |
4-Bromo-2-(trifluoromethoxy)benzenesulfonyl chloride |
CAS: |
175278-14-5 |
Synonyms: |
4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride |
IUPAC Name: | 4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride |
Description: | 4-Bromo-2-(trifluoromethoxy)benzenesulfonyl chloride (CAS# 175278-14-5) is a useful research chemical. |
Molecular Weight: | 339.51 |
Molecular Formula: | C7H3BrClF3O3S |
Canonical SMILES: | C1=CC(=C(C=C1Br)OC(F)(F)F)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H3BrClF3O3S/c8-4-1-2-6(16(9,13)14)5(3-4)15-7(10,11)12/h1-3H |
InChI Key: | ZZCIRIWJHAZTIW-UHFFFAOYSA-N |
Boiling Point: | 255-256 °C (lit.) |
Density: | 1.858 g/cm3 |
Appearance: | Yellow liquid |
MDL: | MFCD00179336 |
LogP: | 4.35600 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020117972-A1 | Therapeutics targeting mutant adenomatous polyposis coli (apc) for the treatment of cancer | 20181204 |
EP-3890715-A1 | Therapeutics targeting mutant adenomatous polyposis coli (apc) for the treatment of cancer | 20181204 |
US-2020405697-A1 | Antitumor Agent | 20171129 |
US-10597378-B2 | Tetrahydroisoquinolines for use as MOR/NOP dual agonists | 20170908 |
US-2019077786-A1 | Heterocyclic compounds and use thereof | 20170908 |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 337.86269 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 337.86269 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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