sulfuroyl dichloride

• ChemBase ID: 129665
• Molecular Formular: Cl2O2S
• Molecular Mass: 134.9698
• Monoisotopic Mass: 133.8996056
• SMILES: ClS(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)Cl
• InChI: InChI=1S/Cl2O2S/c1-5(2,3)4
• InChIKey: YBBRCQOCSYXUOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfuroyl dichloride
• IUPAC Traditional name: sulfonyl chloride
• Synonyms: Sulfonyl chloride; Sulfuric chloride; Sulfuryl chloride; Sulfuryl chloride solution; Sulfuryl chloride; 氯化硫酰 溶液; 硫酰氯; 磺酰氯

Database IDs

• CAS Number: 7791-25-5
• EC Number: 232-245-6
• MDL Number: MFCD00011451
• Merck Index: 148980
• PubChem SID: 162223954; 24856819; 24849699; 24859268
• PubChem CID: 24648
• CHEBI ID: 29291
• Chemspider ID: 23050
• Wikipedia Title: Sulfuryl_chloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6892406
• LogD (pH = 7.4): 0.6892406
• Log P: 0.6892406
• Molar Refractivity: 20.9142 cm^3
• Polarizability: 9.127792 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Decomposes in water. Miscible with benzene, toluene, ether, glacial acetic acid; hydrolyzes in water; miscible with benzene, toluene, chloroform, CCl₄, glacial acetic acid
• Apperance: Colorless liquid with a pungent odor. Yellows upon standing.; Liquid
• Melting Point: -54 °C(lit.); -54.1 °C, 219.1 K; -54°C
• Boiling Point: 68-70 °C(lit.); 69.4 °C, 342.6 K; 69°C
• Flash Point: Highly flammable
• Density: 1.35 g/mL at 20 °C; 1.352 g/mL at 25 °C; 1.665 g/mL at 20 °C(lit.); 1.67 g cm^-3 (20 °C); 1.680
• Refractive Index: 1.4437; 1.4437 (20 °C); n20/D 1.443(lit.)
• Vapor Pressure: 100 mmHg ( 17.8 °C); 105 mmHg ( 20 °C)
• Vapor Density: 4.7 (vs air)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: WT4870000
• European Hazard Symbols: Corrosive (C)
• UN Number: 1834; 2927; UN1834
• German water hazard class: 1; 2
• Hazard Class: 6.1; 8
• Packing Group: 1; 2; I
• Risk Statements: 14-34-37; 14-34-40; R14, R34, R37
• Safety Statements: 1/2-26-45; 26-36/37/39-45; 26-45; S1/2, S26, S30, S45
• TSCA Listed: 是
• EU Index: 016-016-00-6
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  0

  3

  2

  W
• GHS Hazard statements: H314-H335; H314-H351
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P280-P305 + P351 + P338-P310; 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 1834 8/PG 1; UN 2927 6.1/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥90.0%; 97%
• Concentration: ~1 M in methylene chloride; 1.0 M in methylene chloride
• Grade: purum; SAJ first grade
• Linear Formula: SO2Cl2

DETAILS

Sigma Aldrich - 278505

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 320528

Packaging
1 L in glass bottle

Sigma Aldrich - 157767

Packaging
1 kg in glass bottle
25 g in glass bottle