3-(Difluoromethoxy)benzenesulfonyl chloride - CAS 351003-38-8
Catalog: |
BB022447 |
Product Name: |
3-(Difluoromethoxy)benzenesulfonyl chloride |
CAS: |
351003-38-8 |
Synonyms: |
3-(difluoromethoxy)benzenesulfonyl chloride |
IUPAC Name: | 3-(difluoromethoxy)benzenesulfonyl chloride |
Description: | 3-(Difluoromethoxy)benzenesulfonyl chloride (CAS# 351003-38-8) is a useful reagent for the preparation of phenoxypyridylpyrimidine derivatives as inositol requiring enzyme 1 (IRE1) activity modulators. |
Molecular Weight: | 242.63 |
Molecular Formula: | C7H5ClF2O3S |
Canonical SMILES: | C1=CC(=CC(=C1)S(=O)(=O)Cl)OC(F)F |
InChI: | InChI=1S/C7H5ClF2O3S/c8-14(11,12)6-3-1-2-5(4-6)13-7(9)10/h1-4,7H |
InChI Key: | VKSMJFRQQMGYHS-UHFFFAOYSA-N |
Boiling Point: | 233-234 °C (lit.) |
Purity: | 95 % |
Density: | 1.509 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD03094157 |
LogP: | 3.29630 |
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-2021202796-A1 | Pyrrolidine-pyrazoles as pyruvate kinase activators | 20200401 |
WO-2021123237-A1 | 2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use | 20191219 |
CN-109790122-A | Heterocyclic compound | 20160810 |
WO-2017213210-A1 | Heterocyclic compound | 20160610 |
US-10160744-B2 | Quinoline compounds suitable for treating disorders that respond to the modulation of the serotonin 5-HT6 receptor | 20160314 |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.9615992 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.9615992 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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