Bis(phenylsulfonyl)amine - CAS 2618-96-4
Catalog: |
BB019180 |
Product Name: |
Bis(phenylsulfonyl)amine |
CAS: |
2618-96-4 |
Synonyms: |
N-(benzenesulfonyl)benzenesulfonamide; N-(benzenesulfonyl)benzenesulfonamide |
IUPAC Name: | N-(benzenesulfonyl)benzenesulfonamide |
Description: | Bis(phenylsulfonyl)amine (CAS# 2618-96-4) is a useful research chemical. |
Molecular Weight: | 297.35 |
Molecular Formula: | C12H11NO4S2 |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H11NO4S2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h1-10,13H |
InChI Key: | OVQABVAKPIYHIG-UHFFFAOYSA-N |
Boiling Point: | 480.6 °C at 760 mmHg |
Density: | 1.418 g/cm3 |
LogP: | 3.90630 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
21928852 | 20111019 | Intermolecular oxidative C-N bond formation under metal-free conditions: control of chemoselectivity between aryl sp2 and benzylic sp3 C-H bond imidation | Journal of the American Chemical Society |
Complexity: | 429 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.01295018 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.01295018 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 97.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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