Sodium 1-octanesulfonate

• CAS: 5324-84-5
• Catalog Number: ACM5324845
• Category: Organic Phosphine Compounds
• Molecular Weight: 216.28
• Molecular Formula: C8H17NaO3S
• Synonyms: 1-Octanesulfonic acid sodium salt
• IUPAC Name: Sodium;octane-1-sulfonate
• Canonical SMILES: CCCCCCCCS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
• InChI Key: HRQDCDQDOPSGBR-UHFFFAOYSA-M
• Boiling Point: >300ºC(lit.)
• Melting Point: >300°C(lit.)
• Density: 1.084 g/cm³
• Solubility: water, 3.078e+005 mg/L @ 25 °C (est)
• Appearance: Clear colorless
• Assay: 0.99
• Complexity: 184
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• EC Number: 226-195-4
• Exact Mass: 216.07960986
• Hazard Statements: Xi: Irritant
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 0
• MDL Number: MFCD00007544
• Monoisotopic Mass: 216.07960986
• Packaging: 1 kg
• Physical State: Crystalline powder
• Rotatable Bond Count: 7
• Safety Description: S22-S24/25
• Stability: Stable. Incompatible with strong oxidizing agents.
• Storage Conditions: Store in a cool, dry place. Keep container closed when not in use.
• Topological Polar Surface Area: 65.6 Ų
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Sodium 1-octanesulfonate?

The molecular formula of Sodium 1-octanesulfonate is C8H17NaO3S.

What is the molecular weight of Sodium 1-octanesulfonate?

The molecular weight of Sodium 1-octanesulfonate is 216.28 g/mol.

What is the IUPAC name of Sodium 1-octanesulfonate?

The IUPAC name of Sodium 1-octanesulfonate is sodium octane-1-sulfonate.

What is the InChIKey of Sodium 1-octanesulfonate?

The InChIKey of Sodium 1-octanesulfonate is HRQDCDQDOPSGBR-UHFFFAOYSA-M.

What is the canonical SMILES of Sodium 1-octanesulfonate?

The canonical SMILES of Sodium 1-octanesulfonate is CCCCCCCCS(=O)(=O)[O-].[Na+].

What is the CAS number of Sodium 1-octanesulfonate?

The CAS number of Sodium 1-octanesulfonate is 5324-84-5.

How many hydrogen bond acceptor counts does Sodium 1-octanesulfonate have?

Sodium 1-octanesulfonate has 3 hydrogen bond acceptor counts.

What is the exact mass of Sodium 1-octanesulfonate?

The exact mass of Sodium 1-octanesulfonate is 216.07960986 g/mol.

How many rotatable bond counts does Sodium 1-octanesulfonate have?

Sodium 1-octanesulfonate has 7 rotatable bond counts.

What is the topological polar surface area of Sodium 1-octanesulfonate?

The topological polar surface area of Sodium 1-octanesulfonate is 65.6Ų.