Benzenesulfonic acid, 3-nitro-, (2S)-oxiranylmethyl ester


Chemical Name: Benzenesulfonic acid, 3-nitro-, (2S)-oxiranylmethyl ester
CAS Number: 115314-14-2
Product Number: AG0032G5(AGN-PC-0NYPCB)
Synonyms:
MDL No: MFCD00064582
Molecular Formula: C9H9NO6S
Molecular Weight: 259.2359

Identification/Properties


Properties
MP:
61-65 °C
BP:
432.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Moisture Sensitive
Refractive Index:
1.5270 (estimate)
Solubility:
Soluble in chloroform, methylene chloride and tetrahydrofuran. Insoluble in hexane.
Computed Properties
Molecular Weight:
259.232g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
259.015g/mol
Monoisotopic Mass:
259.015g/mol
Topological Polar Surface Area:
110A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
383
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1325
Hazard Statements:
H315-H319-H341-H228
Precautionary Statements:
P210-P201-P264-P280-P370+P378-P308+P313
Class:
4.1
Packing Group:

NMR Spectrum


Other Analytical Data


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