2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride - CAS 54403-98-4
Catalog: |
BB028643 |
Product Name: |
2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride |
CAS: |
54403-98-4 |
Synonyms: |
2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride |
IUPAC Name: | 2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride |
Description: | 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride (CAS# 54403-98-4) is a useful research chemical. |
Molecular Weight: | 323.51 |
Molecular Formula: | C7H3BrClF3O2S |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)Br)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H3BrClF3O2S/c8-5-3-4(7(10,11)12)1-2-6(5)15(9,13)14/h1-3H |
InChI Key: | WWEGTYZLWBOTQW-UHFFFAOYSA-N |
Boiling Point: | 235-236 °C (lit.) |
Density: | 1.865 g/cm3 |
MDL: | MFCD03094394 |
LogP: | 4.47620 |
GHS Hazard Statement: | H226 (88.89%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3555078-A1 | Bisaryl heterocycles as nrf2 acti | 20161214 |
EP-3555088-A1 | Bisaryl amides as nrf2 regulators | 20161214 |
JP-2020502123-A | Bisaryl heterocycles as NRF2 activators | 20161214 |
JP-2020502136-A | Bisarylamides as NRF2 regulators | 20161214 |
US-2019330238-A1 | Bisaryl amides as nrf2 activators | 20161214 |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.86778 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.86778 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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