6-(trifluoromethyl)pyridine-3-sulfonyl chloride - CAS 959996-58-8
Catalog: |
BB041931 |
Product Name: |
6-(trifluoromethyl)pyridine-3-sulfonyl chloride |
CAS: |
959996-58-8 |
Synonyms: |
6-(trifluoromethyl)pyridine-3-sulfonyl chloride |
IUPAC Name: | 6-(trifluoromethyl)pyridine-3-sulfonyl chloride |
Description: | 6-(trifluoromethyl)pyridine-3-sulfonyl chloride (CAS# 959996-58-8) is used for the preparation of N-sulfonamido polycyclic pyrazolyl compounds for treatment of cognitive disorders. |
Molecular Weight: | 245.61 |
Molecular Formula: | C6H3ClF3NO2S |
Canonical SMILES: | C1=CC(=NC=C1S(=O)(=O)Cl)C(F)(F)F |
InChI: | InChI=1S/C6H3ClF3NO2S/c7-14(12,13)4-1-2-5(11-3-4)6(8,9)10/h1-3H |
InChI Key: | NSGLNIQAWVNZFB-UHFFFAOYSA-N |
Boiling Point: | 265.488 ℃ at 760 mmHg |
Density: | 1.607 g/cm3 |
Appearance: | Solid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD10699112 |
LogP: | 3.10870 |
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-2021102314-A1 | Trpv4 receptor ligands | 20191121 |
CN-109593061-A | Androgen receptor antagonists, preparation method and its application | 20181203 |
CN-109438297-B | Androgen receptor antagonist, preparation method and application thereof | 20181203 |
CN-109593061-B | Androgen receptor antagonist, preparation method and application thereof | 20181203 |
TW-202019907-A | Novel LXR regulator containing a bicyclic core | 20180628 |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.9525117 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.9525117 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Pyridines
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