dibromane

• ChemBase ID: 131300
• Molecular Formular: Br2
• Molecular Mass: 159.808
• Monoisotopic Mass: 157.836674
• SMILES: BrBr
• Canonical SMILES: BrBr
• InChI: InChI=1S/Br2/c1-2
• InChIKey: GDTBXPJZTBHREO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibromane
• IUPAC Traditional name: bromine; Brom
• Synonyms: Bromine; Bromine liquid, ACS; Bromine liquid; Bromine solution; Bromide bromate solution; Bromine solution; Bromine concentrate; Bromine water; 溴; 液溴, ACS; 液溴; 溴 溶液; 溴化溴酸 溶液; Bromine water

Database IDs

• CAS Number: 7726-95-6
• EC Number: 231-778-1
• MDL Number: MFCD00010896
• PubChem SID: 24852477; 24865431; 24863739; 24856769; 24859716; 24870690; 162225578
• PubChem CID: 24408

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3836958
• LogD (pH = 7.4): 1.3836958
• Log P: 1.3836958
• Molar Refractivity: 17.4704 cm^3
• Polarizability: 7.177939 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Red to brown liquid; Red-brown liquid
• Melting Point: -7.2 °C(lit.)
• Boiling Point: 58.8 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.307 g/mL at 25 °C(lit.); 3.119 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.51 psi ( 20 °C); 1.22 psi ( 55 °C); 175 mmHg ( 20 °C); 671 mmHg ( 55 °C)
• Vapor Density: 7.14 (vs air)
• Resistivity: 7.8E18 μΩ-cm, 20°C; 7.8E18 μΩ-cm20°C

Safety Information

• RTECS: EF9100000
• European Hazard Symbols: Corrosive (C); Nature polluting (N); Toxic (T); Highly toxic (T+)
• UN Number: 1744; UN1744
• German water hazard class: 2; 3
• Hazard Class: 8
• Packing Group: 1; I
• Risk Statements: 26-35-50; 45; 46-22-26-35-40-50
• Safety Statements: 53-26-28-36/37/39-45-61; 53-45; 7/9-26-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H331-H351-H400; H314-H330-H400; H315-H319-H350; H330-H314-H400
• GHS Precautionary statements: P201-P305 + P351 + P338-P308 + P313; P260-P273-P280-P284-P305 + P351 + P338-P310; P260-P303+P361+P353-P304+P340-P305+P351+P338-P320-P405-P501A; P261-P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US); Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1744 8/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0%; ≥99.0%; ≥99.0% (by Na2S2O3, titration); ≥99.0% (RT); ≥99.5%; ≥99.5% (by Na2S2O3, titration); ≥99.5% (RT); ≥99.99% trace metals basis; 99.5%; 99.5-101.0%; 99.8%; 99.998% (metals basis)
• Concentration: 0.05 M Br2; 1.0 M in trimethyl phosphate
• Grade: ACS reagent; CP; JIS special grade; puriss. p.a.; reagent grade; SAJ first grade
• Packaging: pkg of 0.05 mol Br2 (2.784 g KBrO3 + 27.8 g KBr)
• Evaporation Residue: <0.005%; ≤0.005%
• Impurities: <0.0005% Phosphorus (P); <0.001% Sulfur compounds; <100 ppm total metallic impurities; ≤0.001% free iodine (I); ≤0.001% I2; ≤0.001% S compounds; ≤0.002% free iodine (I); ≤0.02% non-volatile matter; ≤0.05% free chlorine (Cl); organic brominated compounds, in accordance; organic bromine compounds, passes test; potassium bromate; potassium bromide
• Cation Traces: Ag: ≤0.01 mg/kg; Al: <0.0005%; Al: ≤0.05 mg/kg; Ba: ≤0.05 mg/kg; Bi: ≤0.1 mg/kg; Ca: <0.0005%; Ca: ≤0.2 mg/kg; Ca: ≤10 mg/kg; Cd: ≤0.05 mg/kg; Cd: ≤5 mg/kg; Co: ≤0.02 mg/kg; Co: ≤5 mg/kg; Cr: ≤0.05 mg/kg; Cr: ≤5 mg/kg; Cu: <0.0005%; Cu: ≤0.05 mg/kg; Cu: ≤5 mg/kg; Fe: <0.005%; Fe: ≤0.5 mg/kg; Fe: ≤5 mg/kg; heavy metals: ≤2 ppm; K: <0.005%; K: ≤0.1 mg/kg; K: ≤50 mg/kg; Li: ≤0.02 mg/kg; Mg: <0.0005%; Mg: ≤0.5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤0.02 mg/kg; Mn: ≤5 mg/kg; Mo: ≤0.02 mg/kg; Na: <0.005%; Na: ≤0.5 mg/kg; Na: ≤50 mg/kg; Ni: ≤0.02 mg/kg; Ni: ≤5 mg/kg; Ni: ≤5 ppm; Pb: <0.001%; Pb: ≤0.05 mg/kg; Pb: ≤5 mg/kg; Sr: ≤0.02 mg/kg; Tl: ≤0.05 mg/kg; Zn: <0.0005%; Zn: ≤0.1 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): <0.05%; chloride (Cl-): ≤0.05%; sulfate (SO42-): ≤5 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Empirical Formula (Hill Notation): Br2

DETAILS

Sigma Aldrich - 328138

Packaging
10, 100 g in glass bottle

Sigma Aldrich - 470864

Other Notes
Contains organic bromine compounds
Packaging
50, 250 g in glass bottle

Sigma Aldrich - 16040

Other Notes
Reagent for the decomposition of metals, alloys, and steel1,2

Sigma Aldrich - 38040

General description
Visit our Titration Center to learn more.
concentration after dilution to 1L: 0.05mol/L; amount of substance 0.05mol (Br2: 2.784 g KBrO3 + 27.8 g KBr)

Sigma Aldrich - 407186

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 277576

Packaging
100, 450 g in glass bottle
2, 2.5 kg in glass bottle

Sigma Aldrich - 207888

Packaging
5, 100, 500 g in glass bottle