sulfurooyl dibromide

• ChemBase ID: 129869
• Molecular Formular: Br2OS
• Molecular Mass: 207.8724
• Monoisotopic Mass: 205.80365962
• SMILES: BrS(=O)Br
• Canonical SMILES: BrS(=O)Br
• InChI: InChI=1S/Br2OS/c1-4(2)3
• InChIKey: HFRXJVQOXRXOPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfurooyl dibromide
• IUPAC Traditional name: thionyl bromide
• Synonyms: Thionyl bromide; Sulfur oxy dibromide; Thionyl bromide; 二溴亚砜; 亚硫酰溴

Database IDs

• CAS Number: 507-16-4
• EC Number: 208-064-3
• MDL Number: MFCD00011448
• Merck Index: 149347
• PubChem SID: 24889156; 162224155; 24855121
• PubChem CID: 68176
• Chemspider ID: 61483
• Wikipedia Title: Thionyl_bromide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2620932
• LogD (pH = 7.4): 1.2620932
• Log P: 1.2620932
• Molar Refractivity: 24.6691 cm^3
• Polarizability: 10.794157 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: decomposes in water; reacts in HBr and acetone; soluble in benzene, alcohol, ether
• Apperance: colorless liquid
• Melting Point: –52 °C; -52 °C(lit.); -52°C
• Boiling Point: 47-49°C/20mm; 48 °C/20 mmHg(lit.); 68 °C/40 mmHg
• Flash Point: not flammable
• Density: 2.683; 2.683 g/mL at 25 °C(lit.); 2.688 g/mL, liquid
• Refractive Index: 1.6750; n20/D 1.675(lit.)
• Vapor Pressure: 10 mmHg ( 31 °C)

Safety Information

• Storage Warning: Moisture & Light Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3264; UN3264
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1; II
• Risk Statements: 14-20/21-34; 14-35; R14 R20/21/22 R29 R34
• Safety Statements: 26-36/37/39-45; 8-26-30-36/37/39-45; S1/2 S8 S26 S30 S36/37/39 S45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• Main Hazard: sensitive to water; source of bromine, HBr
• GHS Hazard statements: H312-H314-H332; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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 3264 8/PG 1
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (AT); 97%
• Grade: purum
• Linear Formula: SOBr2

DETAILS

Sigma Aldrich - 251259

Application
Direct bromination of primary alcohols in fluorous phase.1
Packaging
25, 100 g in glass bottle