1,4-Benzodioxan-6-sulfonyl chloride - CAS 63758-12-3
Catalog: |
BB032264 |
Product Name: |
1,4-Benzodioxan-6-sulfonyl chloride |
CAS: |
63758-12-3 |
Synonyms: |
2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride |
IUPAC Name: | 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride |
Description: | 1,4-Benzodioxan-6-sulfonyl chloride (CAS# 63758-12-3) is a useful research chemical. |
Molecular Weight: | 234.66 |
Molecular Formula: | C8H7ClO4S |
Canonical SMILES: | C1COC2=C(O1)C=CC(=C2)S(=O)(=O)Cl |
InChI: | InChI=1S/C8H7ClO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2 |
InChI Key: | JWHSRWUHRLYAPM-UHFFFAOYSA-N |
Boiling Point: | 344.2 °C at 760 mmHg |
Density: | 1.513 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02677681 |
LogP: | 2.46610 |
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-2020191022-A1 | Inhibiting ubiquitin specific peptidase 9x | 20190318 |
WO-2021055668-A1 | Inhibiting ubiquitin specific peptidase 9x | 20190318 |
WO-2020139916-A1 | Inhibiting ubiquitin specific peptidase 9x | 20181226 |
CN-111285806-A | Pyrazole compound and preparation method, application and pharmaceutical composition thereof | 20181206 |
WO-2020061252-A1 | Inhibiting ubiquitin specific peptidase 9x | 20180919 |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.9753576 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.9753576 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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