4-tert-Butylbenzenesulfonyl chloride - CAS 15084-51-2
Catalog: |
BB010581 |
Product Name: |
4-tert-Butylbenzenesulfonyl chloride |
CAS: |
15084-51-2 |
Synonyms: |
4-tert-butylbenzenesulfonyl chloride |
IUPAC Name: | 4-tert-butylbenzenesulfonyl chloride |
Description: | 4-tert-Butylbenzenesulfonyl Chloride can be used to treat cancer. |
Molecular Weight: | 232.73 |
Molecular Formula: | C10H13ClO2S |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)Cl |
InChI: | InChI=1S/C10H13ClO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3 |
InChI Key: | YEZADZMMVHWFIY-UHFFFAOYSA-N |
Boiling Point: | 295 °C at 760 mmHg |
Melting Point: | 79-83 °C |
Purity: | 95 % |
Density: | 1.207 g/cm3 |
Appearance: | White to off-white crystals or crystalline powder |
MDL: | MFCD00007449 |
LogP: | 3.99240 |
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 |
CN-113264937-A | 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof | 20210608 |
CN-113214150-A | Synthesis of high-purity aripiprazole and preparation method of hydrate particles thereof | 20210420 |
CN-112552309-A | Psoralen benzene sulfonate derivative and application thereof | 20201217 |
CN-112679458-A | Sulfonic ester-containing myricetin derivative and preparation method and application thereof | 20201215 |
CN-112219848-A | Application of 1-sulfonyl naphthol derivative in preventing and treating plant pathogenic fungi and antibacterial agent | 20201111 |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.0324785 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.0324785 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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