3-Isopropylbenzenesulfonyl Chloride - CAS 71530-58-0
Catalog: |
BB034418 |
Product Name: |
3-Isopropylbenzenesulfonyl Chloride |
CAS: |
71530-58-0 |
Synonyms: |
3-propan-2-ylbenzenesulfonyl chloride; 3-propan-2-ylbenzenesulfonyl chloride |
IUPAC Name: | 3-propan-2-ylbenzenesulfonyl chloride |
Description: | 3-Isopropylbenzenesulfonyl Chloride (CAS# 71530-58-0) is a useful research chemical. |
Molecular Weight: | 218.70 |
Molecular Formula: | C9H11ClO2S |
Canonical SMILES: | CC(C)C1=CC(=CC=C1)S(=O)(=O)Cl |
InChI: | InChI=1S/C9H11ClO2S/c1-7(2)8-4-3-5-9(6-8)13(10,11)12/h3-7H,1-2H3 |
InChI Key: | ZFVRVVPYKFLHAE-UHFFFAOYSA-N |
Boiling Point: | 290 °C at 760 mmHg |
Density: | 1.241 g/cm3 |
MDL: | MFCD09730000 |
LogP: | 3.81830 |
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-2021165346-A1 | Gcn2 modulator compounds | 20200217 |
WO-2021123237-A1 | 2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use | 20191219 |
WO-2017106607-A1 | Polycyclic tlr7/8 antagonists and use thereof in the treatment of immune disorders | 20151217 |
CN-105085450-A | Benzofuran derivatives, and preparation method and therapeutic action thereof | 20150914 |
AU-2011204518-A1 | Novel benzoic pyrrolopyridine derivatives | 20100108 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.0168285 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.0168285 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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