1,1,2,2-tetrabromoethane

• ChemBase ID: 85773
• Molecular Formular: C2H2Br4
• Molecular Mass: 345.65328
• Monoisotopic Mass: 341.68899806
• SMILES: BrC(C(Br)Br)Br
• Canonical SMILES: BrC(C(Br)Br)Br
• InChI: InChI=1S/C2H2Br4/c3-1(4)2(5)6/h1-2H
• InChIKey: QXSZNDIIPUOQMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrabromoethane
• IUPAC Traditional name: tetrabromoethane
• Synonyms: Acetylene tetrabromide; Muthmann's liquid; TBE; 1,1,2,2-Tetrabromoethane; 1,1,2,2-TETRABROMOETHANE, CERTIFIED GRADE; Tetrabromoethane; Muthmanns liquid; 1,1,2,2-Tetrabromoethane; 四溴化乙炔; 均四溴乙烷; 1,1,2,2-四溴乙烷

Database IDs

• CAS Number: 79-27-6
• EC Number: 201-191-5
• MDL Number: MFCD00000133
• Beilstein Number: 1098321
• Merck Index: 149185
• PubChem SID: 162072889; 24888766; 24851150
• PubChem CID: 6588
• Chemspider ID: 6339
• MeSH Name: 1,1,2,2-tetrabromoethane
• Wikipedia Title: Tetrabromoethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9969655
• LogD (pH = 7.4): 1.9969655
• Log P: 1.9969655
• Molar Refractivity: 42.0302 cm^3
• Polarizability: 16.9542 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 630 mg L^-1 (at 20 °C) in water
• Apperance: Colourless liquid
• Melting Point: -0.95°C (272.2K); 0-1°C; -1-1 °C(lit.)
• Boiling Point: 118-120°C/15mm; 118-120°C/15mm; 119 °C/15 mmHg(lit.); 243.55°C (516.7K)
• Flash Point: 97 °C
• Auto Ignition Point: 335 °C; 635 °F
• Density: 2.967; 2.967 g mL^-1; 2.967 g/mL at 25 °C(lit.)
• Refractive Index: 1.637; 1.6370; n20/D 1.637; n20/D 1.637(lit.)
• Vapor Pressure: 0.1 mmHg ( 20 °C); 10 Pa (at 20 °C)
• Vapor Density: 11.9 (vs air)
• Heat Capacity: 165.7 J K^-1 mol^-1

Safety Information

• Storage Warning: Very Toxic/Harmful/Light Sensitive
• RTECS: KI8225000
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 2504; UN2504
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 26-36-52/53; R26, R36, R52/53
• Safety Statements: 24-27-45-61; S1/2, S24, S27, S45
• TSCA Listed: 是
• EU Index: 602-016-00-9
• GHS Pictograms: GHS skull and crossbones; GHS06
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  1

  3

  1
• LD50: 1.2 g kg^-1 (oral, rat); 5.25 g kg^-1 (dermal, rat)
• GHS Hazard statements: 319, 330, 412; H319-H330-H412; H330-H319-H412
• GHS Precautionary statements: 260, 273, 284, 305+351+338, 310; P260-P273-P284-P305 + P351 + P338-P310; P260-P304+P340-P305+P351+P338-P320-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2504 6.1/PG 3

Product Information

• Purity: ≥98.0%; ≥98.0% (GC); 97%; 98%
• Grade: purum p.a.; SAJ first grade
• Linear Formula: Br2CHCHBr2

DETAILS

Sigma Aldrich - 185574

Packaging
1 kg in glass bottle
250 g in glass bottle

Sigma Aldrich - 135275

Application
Used in the production of polyvinyl alcohols.1

Sigma Aldrich - 86760

Application
Heavy liquid used for the separation of minerals
Packaging
1 L in glass bottle
250 mL in glass bottle