2,6-Difluorobenzenesulfonyl chloride - CAS 60230-36-6
Catalog: |
BB030623 |
Product Name: |
2,6-Difluorobenzenesulfonyl chloride |
CAS: |
60230-36-6 |
Synonyms: |
2,6-difluorobenzenesulfonyl chloride |
IUPAC Name: | 2,6-difluorobenzenesulfonyl chloride |
Description: | 2,6-Difluorobenzenesulfonyl chloride (CAS# 60230-36-6) is used as a reagent to synthesize Dabrafenib, an inhibitor of BRAF kinase that is used to treat BRAF V600-mutation positive carcinoma. BRAF is a gene that mediates cell growth and is activated by mutations caused by cancer. 2,6-Difluorobenzenesulfonyl chloride is also a potential inhibitor of zinc proteases. |
Molecular Weight: | 212.60 |
Molecular Formula: | C6H3ClF2O2S |
Canonical SMILES: | C1=CC(=C(C(=C1)F)S(=O)(=O)Cl)F |
InChI: | InChI=1S/C6H3ClF2O2S/c7-12(10,11)6-4(8)2-1-3-5(6)9/h1-3H |
InChI Key: | QXWAUQMMMIMLTO-UHFFFAOYSA-N |
Boiling Point: | 210 °C |
Purity: | 95 % |
Density: | 1.568 g/cm3 |
Appearance: | Clear yellow liquid |
MDL: | MFCD00085004 |
LogP: | 2.97310 |
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 |
CN-113264874-A | Substituted diaryl urea derivative and preparation method and application thereof | 20210521 |
CN-113121467-A | Benzothiazole derivative and medical application thereof | 20210420 |
CN-112110898-A | Synephrine sulfonylation derivative and intermediate, preparation method and application thereof | 20200925 |
WO-2021123237-A1 | 2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use | 20191219 |
WO-2021068950-A1 | Amide compound and medical use thereof as sting inhibitor | 20191012 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.9510345 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.9510345 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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