1,2-dibromoethene

• ChemBase ID: 148464
• Molecular Formular: C2H2Br2
• Molecular Mass: 185.84528
• Monoisotopic Mass: 183.85232406
• SMILES: C(=C\Br)/Br
• Canonical SMILES: Br/C=C/Br
• InChI: InChI=1S/C2H2Br2/c3-1-2-4/h1-2H
• InChIKey: UWTUEMKLYAGTNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromoethene
• IUPAC Traditional name: ethylene dibromide
• Synonyms: Acetylene dibromide; 1,2-Dibromoethylene, mixture of cis and trans; 1,2-Dibromoethylene; 二溴化乙炔; 1,2-二溴乙烯（顺反异构体混合物）; 1,2-二溴乙烯

Database IDs

• CAS Number: 540-49-8
• EC Number: 208-747-6
• MDL Number: MFCD00000184
• Beilstein Number: 1719351
• PubChem SID: 162242639; 24860611; 24893814
• PubChem CID: 637929

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0706198
• LogD (pH = 7.4): 2.0706198
• Log P: 2.0706198
• Molar Refractivity: 25.215 cm^3
• Polarizability: 10.232604 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 107-110 °C(lit.); 110 °C/754 mmHg(lit.)
• Density: 2.246 g/mL at 25 °C(lit.); 2.27 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.5405(lit.); n20/D 1.542

Safety Information

• RTECS: KV7700000
• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-36/37/38
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: BrCH=CHBr

DETAILS

Sigma Aldrich - D40809

Packaging
5, 25 g in ampule