chloranesulfonic acid

• ChemBase ID: 126544
• Molecular Formular: ClHO3S
• Molecular Mass: 116.52414
• Monoisotopic Mass: 115.93349257
• SMILES: ClS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)Cl
• InChI: InChI=1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4)
• InChIKey: XTHPWXDJESJLNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloranesulfonic acid; O-(chlorosulfonyl)oxidanol
• IUPAC Traditional name: chlorosulfonic acid; O-(chlorosulfonyl)oxidanol
• Synonyms: Chlorosulfonic acid; Chlorosulfuric acid; Chlorosulfonic acid; Chlorosulphonic acid; Chlorinesulfonic acid; Chlorinesulphonic acid; Chloridosulfonic acid; Chloridosulphonic acid; Sulfuric chlorohydrin; Chlorosulfuric acid; 氯磺酸

Database IDs

• CAS Number: 7790-94-5
• EC Number: 232-234-6
• MDL Number: MFCD00011523
• Merck Index: 142165
• PubChem SID: 24855890; 24880605; 162220876
• PubChem CID: 24638
• Chemspider ID: 23040
• Wikipedia Title: Chlorosulfuric_acid

CALCULATED PROPERTIES

• Acid pKa: -3.5643687
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4525545
• LogD (pH = 7.4): -2.4525545
• Log P: -0.076155715
• Molar Refractivity: 17.3425 cm^3
• Polarizability: 7.7020745 Å^3
• Polar Surface Area: 54.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: hydrolysis in water; reacts with alcohols; soluble in chlorocarbons
• Apperance: colorless liquid that fumes in air; Liquid
• Melting Point: -80 °C
• Boiling Point: 151-152 °C/755 mmHg(lit.); 151–152 °C; (); 158°C
• Density: 1.753; 1.753 g cm^-3; 1.753 g/mL at 25 °C(lit.)
• Refractive Index: 1.433; n20/D 1.433(lit.)
• Vapor Pressure: 1 mmHg ( 25 °C); 3.3 mmHg ( 37.7 °C)
• Vapor Density: 4 (vs air)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: FX5730000
• European Hazard Symbols: Corrosive (C)
• UN Number: 1754; UN1754
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 1; I
• Risk Statements: 14-35-37; R14, R35, R37
• Safety Statements: 26-45; S2, S26, S45
• TSCA Listed: 是
• EU Index: 016-017-00-1
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  0

  4

  2

  W
• Explode Limits: 37.7 %
• GHS Hazard statements: H314-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1754 8/PG 1
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥98.0% (T); 99%; typically 99%
• Grade: CP; purum
• Quality Level: PREMIUM
• Linear Formula: ClSO3H

DETAILS

Sigma Aldrich - 186309

Legal Information
DuPont product

Sigma Aldrich - 26388

Caution
may contain particles and discolor to slightly greenish-yellow on storage

Sigma Aldrich - 571024

Packaging
1 kg in glass bottle
18 L in Kilo-Lab™
5, 100 g in glass bottle
View returnable container options.