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63680-94-4

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Basic Information
CAS No.: 63680-94-4
Name: ethanesulfonic acid - (2Z)-2-(nitrosomethylidene)-1,2-dihydropyridine (1:1)
Molecular Structure:
Molecular Structure of 63680-94-4 (ethanesulfonic acid - (2Z)-2-(nitrosomethylidene)-1,2-dihydropyridine (1:1))
Formula: C6H6N2O•C2H6O3S
Molecular Weight: 232.28
Boiling Point: 198°C at 760 mmHg
Flash Point: 73.5°C
Safety: A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and SOx.
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  • PYRIDINE-2-ALDOXIME ETHANESULFONATE

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    PYRIDINE-2-ALDOXIME ETHANESULFONATE

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Chemistry

Product Name: Pyridine-2-aldoxime ethanesulfonate (CAS NO.63680-94-4)


Molecular Formula: C6H6N2O•C2H6O3S
Molecular Weight: 232.28g/mol
Mol File: 63680-94-4.mol
Boiling point: 198 °C at 760 mmHg
Flash Point: 73.5 °C
Enthalpy of Vaporization: 43.42 kJ/mol
Vapour Pressure: 0.368 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 6
Structure Descriptors of Pyridine-2-aldoxime ethanesulfonate (CAS NO.63680-94-4):
  IUPAC Name: ethanesulfonic acid; (2Z)-2-(nitrosomethylidene)-1H-pyridine
  Canonical SMILES: CCS(=O)(=O)O.C1=CC(=CN=O)NC=C1
  Isomeric SMILES: CCS(=O)(=O)O.C1=C/C(=C/N=O)/NC=C1
  InChI: InChI=1S/C6H6N2O.C2H6O3S/c9-8-5-6-3-1-2-4-7-6;1-2-6(3,4)5/h1-5,7H;2H2,1H3,(H,3,4,5)/b6-5-; 
  InChIKey: YLSSXVFRZWRXDA-YSMBQZINSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 118mg/kg (118mg/kg)   Archives of Environmental Health. Vol. 5, Pg. 21, 1962.

Safety Profile

A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and SOx.

Specification

 Pyridine-2-aldoxime ethanesulfonate ,its CAS NO. is 63680-94-4,the synonyms is 2-Pam sulfonate .