3,5-Dichloro-2-hydroxybenzenesulfonyl chloride - CAS 23378-88-3
Catalog: |
BB018025 |
Product Name: |
3,5-Dichloro-2-hydroxybenzenesulfonyl chloride |
CAS: |
23378-88-3 |
Synonyms: |
3,5-dichloro-2-hydroxybenzenesulfonyl chloride |
IUPAC Name: | 3,5-dichloro-2-hydroxybenzenesulfonyl chloride |
Description: | 3,5-Dichloro-2-hydroxybenzenesulfonyl chloride (CAS# 23378-88-3) is an intermediate used to synthesize small molecule cathepsin D inhibitors. It was also used as chromogenic system in one-step kinetic method for the determination of 5'-nucleotidase. |
Molecular Weight: | 261.51 |
Molecular Formula: | C6H3Cl3O3S |
Canonical SMILES: | C1=C(C=C(C(=C1Cl)O)S(=O)(=O)Cl)Cl |
InChI: | InChI=1S/C6H3Cl3O3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2,10H |
InChI Key: | KXFQRJNVGBIDHA-UHFFFAOYSA-N |
Boiling Point: | 359 ℃ at 760 mmHg |
Melting Point: | 78-84 ℃ |
Purity: | 95 % |
Density: | 1.761 g/cm3 |
MDL: | MFCD00007432 |
LogP: | 3.70730 |
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-2021021951-A1 | Wdr5-myc inhibitors | 20190729 |
US-2020157076-A1 | Acly inhibitors and uses thereof | 20181116 |
WO-2020102616-A1 | Acly inhibitors and uses thereof | 20181116 |
US-2020148634-A1 | Acly inhibitors and uses thereof | 20181109 |
WO-2020097408-A1 | Acly inhibitors and uses thereof | 20181109 |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.886848 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.886848 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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