1,4-DIBROMOBENZENE

PRODUCT IDENTIFICATION
CAS NO

106-37-6

1,4-DIBROMOBENZENE

EINECS NO.

203-390-2

FORMULA C6H4Br2
MOL WT.

235.92

H.S. CODE 2903.69
TOXICITY  
SYNONYMS p-Dibromobenzene; p-Bromobenzene bromide;
p-Bromophenyl bromide;

SMILES

c1(ccc(Br)cc1)Br

CLASSIFICATION

 

PHYSICAL AND CHEMICAL PROPERTIES
PHYSICAL STATE

white to yellow crystalline powder

MELTING POINT 87 - 89 C
BOILING POINT 219 C
SPECIFIC GRAVITY 1.84 - 1.85
SOLUBILITY IN WATER Insoluble (< 0.1 g/100ml at 25 C)
pKa (Dissociation Constant at 20 C)
log Pow 3.79 (Octanol-water)
VAPOR PRESSURE 0.0575 (mmHg at 25 C)
HENRY'S LAW 8.93E-04 (atm-m3/mole at 25 C)
OH RATE 3.52E-13 (Atmospheric at 25 C )
AUTOIGNITION  
VAPOR DENSITY  
NFPA RATINGS Health: 1; Flammability: 0; Reactivity: 0

REFRACTIVE INDEX

  
FLASH POINT

91 C

STABILITY Stable under ordinary conditions.

GENERAL DESCRIPTION & EXTERNAL LINKS
Bromobenzenes are organic halogen compounds of cyclic aromatics formed by replacing hydrogen atoms in benzene by 1-6 atoms of bromine. There are 12 compounds of chlorobenzenes of mono-, three isomeric substances each of di-, tri-, and tetra-, as well as penta- and hexachlorobenzene.
  • Monobromobenzene (CAS RN: 108-86-1, Melting point: -31 C, Boiling point: 155 C)
  • 1,2-dibromobenzene (CAS RN: 583-53-9, Melting point: 5 C Boiling point: 224 C)
  • 1,3-dibromobenzene ( CAS RN: 108-36-1, Melting point: -7 C Boiling point: 218 C)
  • 1,4-dibromobenzene (CAS RN: 106-37-6, Melting point: 87 C Boiling point: 219 C)
  • 1,2,3-Tribromobenzene (CAS RN: n/a)
  • 1,2,4-Tribromobenzene (CAS RN: 615-54-3, Melting point: 43 C Boiling point: 275 C) )
  • 1,3,5-tribromobenzene (CAS RN: 626-39-1, Melting point: 120 C Boiling point: 271 C)
  • 1,2,3,4-Tetrabromobenzene (CAS RN: n/a)
  • 1,2,3,5-Tetrachlorobenzene (CAS RN: 634-89-9, Melting point: , Boiling point:  n.a)
  • 1,2,4,5-Tetrabromobenzene (CAS RN: 636-28-2, Melting point: 180-182 C, Boiling point: n/a)
  • Pentachlorobenzene (CAS RN: 608-93-5, Melting point: 84 - 87 C, Boiling point:  275-277 C)
  • Hexachlorobenzene (CAS RN: 87-82-1, Melting point: )>300 C, Boiling point: n/a )

Lower bromobenzenes are clear liquid at room temperature while higher bromobenzenes are white to yellowish solids. They are practically insoluble in water and denser than water. . The water solubility is decreasing if more brominated. The flammability of bromobenzenes are very low, the octanol/water partition coefficients are moderate to high, increasing with more brominated, and vapour pressures are low to moderate, decreasing with more bromobenzenes. The taste and odour thresholds are low, decreasing with lower bromobenzenes. The commercial bromobenzenes are used as heavy liquid solvents, motor oil additives. and as an intermediates to manufacture organic chemicals including pharmaceuticals, pesticides and flame retardants for polymeric materials.

http://journals.iucr.org/
.....The relationship between the molecular symmetry and the melting point of the dibromobenzene isomers has been discussed. According to the empirical Carnelley’s rule high molecular symmetry is related with high melting point [1], [2]. This effect however can be justified in various ways. The melting points are: 278-280 K for 1,2-, 266 K for 1,3-, and 356-360 K for 1,4-dibromobenzene. The Br···Br intermolecular interactions are distinct in both these structures, and they can be considered to be the main factor responsible for the...
SALES SPECIFICATION

APPEARANCE

white to yellow crystalline powder

ASSAY (G.C)

99.0% min

ISOMER

0.5% max

WATER

0.5% max

TRANSPORTATION
PACKING 50kgs in drum
HAZARD CLASS 3 (Packing Group: III)
UN NO.

2514

OTHER INFORMATION
Hazard Symbols: XI , Risk Phrases: 36/37/38, Safety Phrases: 24/25