3-Nitrobenzylsulfonyl Chloride - CAS 58032-84-1
Catalog: |
BB029910 |
Product Name: |
3-Nitrobenzylsulfonyl Chloride |
CAS: |
58032-84-1 |
Synonyms: |
(3-nitrophenyl)methanesulfonyl chloride; (3-nitrophenyl)methanesulfonyl chloride |
IUPAC Name: | (3-nitrophenyl)methanesulfonyl chloride |
Description: | 3-Nitrobenzylsulfonyl Chloride (CAS# 58032-84-1) is used as a reactant or reagent for organic reactions and synthesis. |
Molecular Weight: | 235.64 |
Molecular Formula: | C7H6ClNO4S |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)Cl |
InChI: | InChI=1S/C7H6ClNO4S/c8-14(12,13)5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2 |
InChI Key: | IUYFKLDRPZLAQQ-UHFFFAOYSA-N |
Boiling Point: | 393.2 °C at 760 mmHg |
Density: | 1.57 g/cm3 |
Solubility: | Reacts with water. |
Appearance: | White to cream crystalline powder |
MDL: | MFCD01859935 |
LogP: | 3.26740 |
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-2021127499-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20191218 |
WO-2019246513-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20180621 |
TW-202016082-A | Protein tyrosine phosphatase inhibitor and method of use | 20180621 |
AU-2019290197-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20180621 |
CA-3104507-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20180621 |
PMID | Publication Date | Title | Journal |
20448906 | 20100521 | Synthesis of sulfonamide-based kinase inhibitors from sulfonates by exploiting the abrogated SN2 reactivity of 2,2,2-trifluoroethoxysulfonates | Organic & biomolecular chemistry |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.9706065 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.9706065 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 88.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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