(nitrosooxy)sulfonic acid

• ChemBase ID: 128633
• Molecular Formular: HNO5S
• Molecular Mass: 127.07664
• Monoisotopic Mass: 126.95754314
• SMILES: O=NOS(=O)(=O)O
• Canonical SMILES: O=NOS(=O)(=O)O
• InChI: InChI=1S/HNO5S/c2-1-6-7(3,4)5/h(H,3,4,5)
• InChIKey: VQTGUFBGYOIUFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (nitrosooxy)sulfonic acid
• IUPAC Traditional name: nitrosylsulfuric acid
• Synonyms: nitrosonium bisulfate; chamber crystals; Nitrosylsulfuric acid; Nitrosylsulfuric acid solution; 亚硝酰硫酸 溶液

Database IDs

• CAS Number: 7782-78-7
• MDL Number: MFCD00011495
• PubChem SID: 162222940; 24873942
• PubChem CID: 82157
• Chemspider ID: 74147
• Wikipedia Title: Nitrosylsulfuric_acid

CALCULATED PROPERTIES

• Acid pKa: -3.1475282
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.4535077
• LogD (pH = 7.4): -2.453508
• Log P: -0.07710904
• Molar Refractivity: 18.7135 cm^3
• Polarizability: 7.789681 Å^3
• Polar Surface Area: 93.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: decomposes in water; soluble in H₂SO₄
• Apperance: pale yellow crystals
• Melting Point: 73.5 °C
• Boiling Point: decomposes
• Density: 1.612 g/mL in; 40% sulfuric acid soln; 1.865 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 3264
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-23/24/25-35
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS03; GHS05; GHS06
• GHS Signal Word: Danger
• Main Hazard: oxidizer
• GHS Hazard statements: H272-H301-H311-H314-H330
• GHS Precautionary statements: P220-P260-P280-P284-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3264 8/PG 2

Product Information

• Concentration: 40 wt. % in sulfuric acid
• Linear Formula: HO3SONO

DETAILS

Sigma Aldrich - 517070

Packaging
250 mL in glass bottle