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7726-95-6 molecular structure
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dibromane

ChemBase ID: 131300
Molecular Formular: Br2
Molecular Mass: 159.808
Monoisotopic Mass: 157.836674
SMILES and InChIs

SMILES:
BrBr
Canonical SMILES:
BrBr
InChI:
InChI=1S/Br2/c1-2
InChIKey:
GDTBXPJZTBHREO-UHFFFAOYSA-N

Cite this record

CBID:131300 http://www.chembase.cn/molecule-131300.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
液溴, ACS
液溴
溴 溶液
溴化溴酸 溶液
Bromine water
CAS Number
7726-95-6
EC Number
231-778-1
MDL Number
MFCD00010896
PubChem SID
24852477
24870690
24863739
162225578
24865431
24856769
24859716
PubChem CID
24408

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3836958  LogD (pH = 7.4) 1.3836958 
Log P 1.3836958  Molar Refractivity 17.4704 cm3
Polarizability 7.177939 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Red to brown liquid expand Show data source
Red-brown liquid expand Show data source
Melting Point
-7.2 °C(lit.) expand Show data source
Boiling Point
58.8 °C(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.307 g/mL at 25 °C(lit.) expand Show data source
3.119 g/mL at 25 °C(lit.) expand Show data source
Vapor Pressure
0.51 psi ( 20 °C) expand Show data source
1.22 psi ( 55 °C) expand Show data source
175 mmHg ( 20 °C) expand Show data source
671 mmHg ( 55 °C) expand Show data source
Vapor Density
7.14 (vs air) expand Show data source
Resistivity
7.8E18 μΩ-cm, 20°C expand Show data source
7.8E18 μΩ-cm20°C expand Show data source
RTECS
EF9100000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
1744 expand Show data source
UN1744 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
1 expand Show data source
I expand Show data source
Risk Statements
26-35-50 expand Show data source
45 expand Show data source
46-22-26-35-40-50 expand Show data source
Safety Statements
53-26-28-36/37/39-45-61 expand Show data source
53-45 expand Show data source
7/9-26-45-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314-H331-H351-H400 expand Show data source
H314-H330-H400 expand Show data source
H315-H319-H350 expand Show data source
H330-H314-H400 expand Show data source
GHS Precautionary statements
P201-P305 + P351 + P338-P308 + P313 expand Show data source
P260-P273-P280-P284-P305 + P351 + P338-P310 expand Show data source
P260-P303+P361+P353-P304+P340-P305+P351+P338-P320-P405-P501A expand Show data source
P261-P273-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US) expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1744 8/PG 1 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% expand Show data source
≥99.0% expand Show data source
≥99.0% (by Na2S2O3, titration) expand Show data source
≥99.0% (RT) expand Show data source
≥99.5% expand Show data source
≥99.5% (by Na2S2O3, titration) expand Show data source
≥99.5% (RT) expand Show data source
≥99.99% trace metals basis expand Show data source
99.5% expand Show data source
99.5-101.0% expand Show data source
99.8% expand Show data source
99.998% (metals basis) expand Show data source
Concentration
0.05 M Br2 expand Show data source
1.0 M in trimethyl phosphate expand Show data source
Grade
ACS reagent expand Show data source
CP expand Show data source
JIS special grade expand Show data source
puriss. p.a. expand Show data source
reagent grade expand Show data source
SAJ first grade expand Show data source
Packaging
pkg of 0.05 mol Br2 (2.784 g KBrO3 + 27.8 g KBr) expand Show data source
Evaporation Residue
<0.005% expand Show data source
≤0.005% expand Show data source
Impurities
<0.0005% Phosphorus (P) expand Show data source
<0.001% Sulfur compounds expand Show data source
<100 ppm total metallic impurities expand Show data source
≤0.001% free iodine (I) expand Show data source
≤0.001% I2 expand Show data source
≤0.001% S compounds expand Show data source
≤0.002% free iodine (I) expand Show data source
≤0.02% non-volatile matter expand Show data source
≤0.05% free chlorine (Cl) expand Show data source
organic brominated compounds, in accordance expand Show data source
organic bromine compounds, passes test expand Show data source
potassium bromate expand Show data source
potassium bromide expand Show data source
Cation Traces
Ag: ≤0.01 mg/kg expand Show data source
Al: <0.0005% expand Show data source
Al: ≤0.05 mg/kg expand Show data source
Ba: ≤0.05 mg/kg expand Show data source
Bi: ≤0.1 mg/kg expand Show data source
Ca: <0.0005% expand Show data source
Ca: ≤0.2 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Cd: ≤0.05 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤0.02 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤0.05 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: <0.0005% expand Show data source
Cu: ≤0.05 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: <0.005% expand Show data source
Fe: ≤0.5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
heavy metals: ≤2 ppm expand Show data source
K: <0.005% expand Show data source
K: ≤0.1 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤0.02 mg/kg expand Show data source
Mg: <0.0005% expand Show data source
Mg: ≤0.5 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤0.02 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤0.02 mg/kg expand Show data source
Na: <0.005% expand Show data source
Na: ≤0.5 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤0.02 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤5 ppm expand Show data source
Pb: <0.001% expand Show data source
Pb: ≤0.05 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤0.02 mg/kg expand Show data source
Tl: ≤0.05 mg/kg expand Show data source
Zn: <0.0005% expand Show data source
Zn: ≤0.1 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): <0.05% expand Show data source
chloride (Cl-): ≤0.05% expand Show data source
sulfate (SO42-): ≤5 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Empirical Formula (Hill Notation)
Br2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 328138 external link
Packaging
10, 100 g in glass bottle
Sigma Aldrich - 470864 external link
Other Notes
Contains organic bromine compounds
Packaging
50, 250 g in glass bottle
Sigma Aldrich - 16040 external link
Other Notes
Reagent for the decomposition of metals, alloys, and steel1,2
Sigma Aldrich - 38040 external link
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 external link
Packaging
100 mL in Sure/Seal™
Sigma Aldrich - 277576 external link
Packaging
100, 450 g in glass bottle
2, 2.5 kg in glass bottle
Sigma Aldrich - 207888 external link
Packaging
5, 100, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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