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2-Propanesulfonic acid,sodium salt (1:1)

  • Name 2-Propanesulfonic acid,sodium salt (1:1)
  • EINECS226-434-2
  • CAS No. 5399-58-6
  • DensityN/A
  • PSA65.58000
  • LogP1.02080
  • SolubilityN/A
  • Melting Point>300 °C
  • FormulaC3H7NaO3S
  • Boiling PointN/A
  • Molecular Weight146.143
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36/37/39
  • Risk Codes22-36/37/38
  • Molecular Structure
    Molecular Structure of 5399-58-6 (2-PROPANESULFONIC ACID SODIUM SALT)
  • Hazard SymbolsHarmfulXn
  • SynonymsHarmfulXn
  • Article Data4

2-Propanesulfonic acid,sodium salt (1:1) Specification

The CAS registry number of 2-Propanesulfonic acid,sodium salt (1:1) is 5399-58-6. Its EINECS registry number is 226-434-2. This chemical's molecular formula is C3H7NaO3S and molecular weight is 146.1406. What's more, both its IUPAC name and systematic name are the same which is called Sodium propane-2-sulfonate.

Physical properties about 2-Propanesulfonic acid,sodium salt (1:1) are: (1)ACD/LogP: -1.01; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.25; (4)ACD/LogD (pH 7.4): -4.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.75 Å2; (13)Melting Point: >300 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It may cause damage to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]S(=O)(=O)C(C)C
(2) InChI: InChI=1/C3H8O3S.Na/c1-3(2)7(4,5)6;/h3H,1-2H3,(H,4,5,6);/q;+1/p-1
(3) InChIKey: JUAHWAGHDQJOLT-REWHXWOFAS

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