(S)-Glycidyl 3-Nitrobenzenesulfonate - CAS 115314-14-2
Catalog:
BB003543
Product Name:
(S)-Glycidyl 3-Nitrobenzenesulfonate
CAS:
115314-14-2
Synonyms:
3-nitrobenzenesulfonic acid [(2S)-2-oxiranyl]methyl ester; [(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate
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BB003543
100 g
$199
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IUPAC Name: [(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate
Description: (S)-Glycidyl 3-Nitrobenzenesulfonate (CAS# 115314-14-2) is a compound useful in organic synthesis.
Molecular Weight: 259.24
Molecular Formula: C9H9NO6S
Canonical SMILES: C1C(O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
InChI: InChI=1S/C9H9NO6S/c11-10(12)7-2-1-3-9(4-7)17(13,14)16-6-8-5-15-8/h1-4,8H,5-6H2/t8-/m0/s1
InChI Key: AIHIHVZYAAMDPM-QMMMGPOBSA-N
Boiling Point: 432.2 °C at 760 mmHg
Density: 1.527 g/cm3
Appearance: Off-white to yellow-brown powder
Storage: Inert atmosphere, 2-8 °C
MDL: MFCD00064582
LogP: 2.30290
GHS Hazard Statement: H302 (95.12%): 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
WO-2021127404-A1 Tricyclic pyridones and pyrimidones 20191220
US-2021130342-A1 Pyridazinones as parp7 inhibitors 20191030
WO-2021087025-A1 Pyridazinones as parp7 inhibitors 20191030
US-2020306209-A1 Method of treating acid-base disorders 20190327
US-2020340982-A1 Photoaffinity probes 20190320
PMID Publication Date Title Journal
17961850 20080301 Synthesis and preliminary evaluation of (S)-[11C]-exaprolol, a novel beta-adrenoceptor ligand for PET Neurochemistry international
15787468 20050330 Chiral trialkanolamine-based hemicryptophanes: synthesis and oxovanadium complex Organic letters
Complexity: 383
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Exact Mass: 259.01505818
Formal Charge: 0
Heavy Atom Count: 17
Hydrogen Bond Acceptor Count: 6
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 259.01505818
Rotatable Bond Count: 4
Topological Polar Surface Area: 110 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.7
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