sulfurooyl dichloride

• ChemBase ID: 129870
• Molecular Formular: Cl2OS
• Molecular Mass: 118.9704
• Monoisotopic Mass: 117.90469098
• SMILES: ClS(=O)Cl
• Canonical SMILES: ClS(=O)Cl
• InChI: InChI=1S/Cl2OS/c1-4(2)3
• InChIKey: FYSNRJHAOHDILO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfurooyl dichloride
• IUPAC Traditional name: thionyl chloride
• Synonyms: Thionyl chloride; Thionyl dichloride; Sulfurous oxychloride; Sulfinyl chloride; sulfinyl dichloride; Dichlorosulfoxide; Sulfur oxide dichloride; Sulfur monoxide dichloride; Sulfuryl(IV) chloride; Thionyl chloride; Thionyl chloride solution; 氯化亚砜; 亚硫酰氯 溶液

Database IDs

• CAS Number: 7719-09-7
• EC Number: 231-748-8
• MDL Number: MFCD00011449
• Beilstein Number: 1209273
• PubChem SID: 24868330; 24853806; 24859270; 24857637; 162224156; 24859269
• PubChem CID: 24386
• CHEBI ID: 29290
• Chemspider ID: 22797
• Wikipedia Title: Thionyl_chloride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7949061
• LogD (pH = 7.4): 0.7949061
• Log P: 0.7949061
• Molar Refractivity: 19.4713 cm^3
• Polarizability: 8.383097 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: exothermic reaction in water; soluble in benzene, chloroform, CCl₄
• Apperance: APHA: ≤50; clear, colorless to yellow liquid with unpleasant odor
• Melting Point: -104.5 °C; -105 °C(lit.)
• Boiling Point: 74.6 °C; 79 °C(lit.)
• Flash Point: Non-flammable
• Density: 1.373 g/mL at 25 °C; 1.631 g/mL at 25 °C(lit.); 1.638 g/cm^3, liquid; 1.64 g/mL at 20 °C
• Refractive Index: 1.517 (20 °C); n20/D 1.518(lit.)
• Vapor Pressure: 97 mmHg ( 20 °C)
• Viscosity: 0.6 cP

Safety Information

• RTECS: XM5150000
• European Hazard Symbols: Corrosive (C)
• UN Number: 1836; 2922
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 1; 2
• Risk Statements: 14-20/22-29-35; 20/21/22-34-40; R14, R20/22, R29, R35
• Safety Statements: 26-27-28.1-36/37/39-45; 26-36/37/39-45; S1/2, S26, S30, S36/37/39, S45
• EU Index: 016-015-00-0
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• Main Hazard: Water- and moisture- sensitive, reactive. ; Never add water to this product as the hydrolysis reaction with water is violent.
• NFPA704:
  

  0

  4

  2

  W
• GHS Hazard statements: H302-H314-H331
• GHS Precautionary statements: 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 1836 8/PG 1; UN 2922 8/PG 2
• Supplemental Hazard Statements: Contact with water liberates toxic gas., Reacts violently with water.

Product Information

• Purity: ≥90.0%; ≥95.0%; ≥98%; ≥99%; ≥99.0%; 97%; 99.5%
• Concentration: 2.0 M in methylene chloride
• Grade: puriss.; purum; reagent grade; ReagentPlus®; SAJ first grade; SAJ special grade; technical grade
• Contains: <5 ppm iron
• Linear Formula: SOCl2

DETAILS

Sigma Aldrich - 447285

Packaging
1 L in glass bottle
100, 500 mL in glass bottle
5 mL in ampule
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 18438

General description
appearance: colorless-yellowish, clear liquid

Sigma Aldrich - 293121

Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 320544

Packaging
1, 2.5 L in PVC coated
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 320536

Packaging
1 L in glass bottle

Sigma Aldrich - 230464

Packaging
1, 2.5 L in glass bottle
5, 100 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC