2-Propanesulfonyl chloride - CAS 10147-37-2
Catalog: |
BB000517 |
Product Name: |
2-Propanesulfonyl chloride |
CAS: |
10147-37-2 |
Synonyms: |
propane-2-sulfonyl chloride |
IUPAC Name: | propane-2-sulfonyl chloride |
Description: | 2-Propanesulfonyl chloride (CAS# 10147-37-2) is a pharmaceutical intermediate. Reagent for the sulfenylation of indoles. |
Molecular Weight: | 142.60 |
Molecular Formula: | C3H7ClO2S |
Canonical SMILES: | CC(C)S(=O)(=O)Cl |
InChI: | InChI=1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3 |
InChI Key: | DRINJBFRTLBHNF-UHFFFAOYSA-N |
Boiling Point: | 74-75 °C / 19 mmHg (lit.), 181.4 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.27 g/mL at 25 °C (lit.) |
Appearance: | Colorless to light yellow liquid |
MDL: | MFCD00007453 |
LogP: | 2.04420 |
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 |
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PMID | Publication Date | Title | Journal |
19325793 | 20080501 | Concerted solvent processes for common sulfonyl chloride precursors used in the synthesis of sulfonamide-based drugs | International journal of molecular sciences |
16604227 | 20060421 | Rate and product studies in the solvolyses of N,N-dimethylsulfamoyl and 2-propanesulfonyl chlorides | Organic & biomolecular chemistry |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.9855283 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.9855283 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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