(3-Chloro-4-fluorophenyl)methanesulfonyl Chloride - CAS 1211516-98-1
Catalog: |
BB062423 |
Product Name: |
(3-Chloro-4-fluorophenyl)methanesulfonyl Chloride |
CAS: |
1211516-98-1 |
Synonyms: |
(3-CHLORO-4-FLUOROPHENYL)METHANESULFONYL CHLORIDE; (3-CHLORO-4-FLUOROPHENYL)METHANESULFONYLCHLORIDE |
IUPAC Name: | (3-chloro-4-fluorophenyl)methanesulfonyl chloride |
Description: | (3-chloro-4-fluorophenyl)methanesulfonyl chloride is a reagent in the rhodium-catalyzed meta-C-H functionalization of arenes. |
Molecular Weight: | 243.08 |
Molecular Formula: | C7H5O2FSCl2 |
Canonical SMILES: | C1=CC(=C(C=C1CS(=O)(=O)Cl)Cl)F |
InChI: | InChI=1S/C7H5Cl2FO2S/c8-6-3-5(1-2-7(6)10)4-13(9,11)12/h1-3H,4H2 |
InChI Key: | UQJBTVUJRRGUTO-UHFFFAOYSA-N |
References: | Bera, M., et al. Angew. Chem., Int. Ed., 56, 5272 (2017). |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021213353-A1 | Amide or sulfonamide derivative and use thereof | 20200420 |
WO-2008016811-A2 | Aminopiperidines and realted compounds | 20060731 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.9371341 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.9371341 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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