1.00034

1,1,2,2-Tetrabromoethane

1,1,2,2-Tetrabromoethane. CAS 79-27-6, chemical formula Br₂CHCHBr₂.

• Synonym(s): 1,1,2,2-Tetrabromoethane, TBE, Muthmanns liquid, Acetylene tetrabromide
• Empirical Formula (Hill Notation): C₂H₂Br₄
• CAS Number: 79-27-6
• Molecular Weight: 345.65
• UNSPSC Code: 12352101
• EC Index Number: 201-191-5
• NACRES: NA.22
• MDL number: MFCD00000133
• Assay: ≥98% (GC)
• Form: liquid

Properties

• vapor pressure: 0.03-0.13 hPa ( 20 °C)
• Quality Segment: 200
• assay: ≥98% (GC)
• form: liquid
• autoignition temp.: 335 °C
• potency: 5250 mg/kg LD₅₀, skin (Rat)
• bp: 239 °C/1013 hPa (decomposition)
• mp: -1 °C
• density: 2.96 g/cm³ at 25 °C
• storage temp.: 15-25°C
• SMILES string: BrC(Br)C(Br)Br
• InChI: 1S/C2H2Br4/c3-1(4)2(5)6/h1-2H
• InChI key: QXSZNDIIPUOQMB-UHFFFAOYSA-N

Description

Application

• Tetrabromoethane as ς-Hole Donor toward Bromide Ligands: Halogen Bonding between C2H2Br4 and Bromide Dialkylcyanamide Platinum(II) Complexes: The study investigates XBs with 1,1,2,2-tetrabromoethane as XB donor in the formation of 1:1 complex of C2H2Br4 and bromide dialkylcyanamide Platinum(II) (AM Cheranyova, DM Ivanov, 2021).

Analysis Note

Assay (GC, area%): ≥ 98 %
Density (d 20 °C/ 4 °C): 2.950 - 2.970
Water (K. F.): ≤ 0.05 %
Identity (IR): passes test

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H302 - H315 - H319 - H330 - H412
• pcodes: P260 - P273 - P301 + P312 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Irrit. 2 - Skin Irrit. 2
• Storage Class: 6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk: WGK 2
• flash_point_f: Not applicable
• flash_point_c: Not applicable