oxalic dibromide

• ChemBase ID: 146509
• Molecular Formular: C2Br2O2
• Molecular Mass: 215.8282
• Monoisotopic Mass: 213.82650324
• SMILES: C(=O)(C(=O)Br)Br
• Canonical SMILES: BrC(=O)C(=O)Br
• InChI: InChI=1S/C2Br2O2/c3-1(5)2(4)6
• InChIKey: JAZLVNXWYDFQFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxalic dibromide
• IUPAC Traditional name: oxalic dibromide
• Synonyms: Ethanedioyl dibromide solution; Oxalyl bromide solution; Ethanedioyl dibromide; NSC 96957; Oxalyl bromide; 草酰溴 溶液; 草酰溴

Database IDs

• CAS Number: 15219-34-8
• EC Number: 239-271-7
• MDL Number: MFCD00000113
• Beilstein Number: 1744437
• PubChem SID: 24847129; 24859231; 162240704
• PubChem CID: 84841

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1030133
• LogD (pH = 7.4): 1.1030133
• Log P: 1.1030133
• Molar Refractivity: 27.3534 cm^3
• Polarizability: 11.108006 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -19 °C(lit.)
• Boiling Point: 16-17 °C/10 mmHg(lit.)
• Density: 1.517 g/mL at 25 °C
• Refractive Index: n20/D 1.522(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 2922; 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1; 2
• Risk Statements: 14-20-29-34; 23/24/25-34-40
• Safety Statements: 26-27-28.1-36/37/39-45; 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H332
• GHS Precautionary statements: 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 2922 8/PG 1; UN 3265 8/PG 2
• Supplemental Hazard Statements: Contact with water liberates toxic gas., Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Concentration: 2.0 M in methylene chloride
• Linear Formula: BrCOCOBr

DETAILS

Sigma Aldrich - 323233

Packaging
50, 500 mL in Sure/Seal™
Application
Used in synthetic applications of carbon-substituted iminium salts1Reactant for:
• Synthesis of mutasynthons added to cultures of A. pretiosum for mutasynthetic generation of ansamitocin derivatives2
• Oxalic acid formation from hydroxyl radical substitutions3
• Cyclization to produce CRF1 receptor antagonists4
• Preparation, optical and electrochemical studies of thiophene end capped olig(2,3-alkylthieno[3,4-b]pyrazine)5
• Asymmetrical synthesis of glycosyl chlorides and bromides6

Sigma Aldrich - 113034

Application
Converts cyclopentane-1,3-dione to 3-bromocyclopenten-2-one.7
Used in synthetic applications of carbon-substituted iminium salts1Reactant for:
• Synthesis of mutasynthons added to cultures of A. pretiosum for mutasynthetic generation of ansamitocin derivatives2
• Oxalic acid formation from hydroxyl radical substitutions3
• Cyclization to produce CRF1 receptor antagonists4
• Preparation, optical and electrochemical studies of thiophene end capped olig(2,3-alkylthieno[3,4-b]pyrazine)5
• Asymmetrical synthesis of glycosyl chlorides and bromides6
Packaging
25, 100 g in glass bottle