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Brominated Flame Retardants
Appendix 3
Physical-chemical Properties of Brominated Flame Retardants
The following list of physical-chemical properties of brominated flame retardants is based on OECD 94 /1/ and IPCS 1997 /2/. The list include all brominated flame retardants in commercial use according to IPCS 1997 /2/. A few recently introduced compounds are added and for a few compounds additional information have been obtained from product literature. For these the source of information is indicated. The indicated uses of the flame retardants refer to IPCS 1997 and not the actual use in Danish production. The compounds are listed in order of CAS number.
Brominated flame retardants used for production processes in Denmark 1997
Tetrabromobisphenol A (TBBPA)
| CAS registry number: | 79-94-7 |
| Chemical formula: | C15H12Br4O2 |
| Relative molecular mass: | 543.92 |
| Melting point: | 178-180°C (180-184°C) |
| Boiling point: | 316°C (approximately) |
| Specific gravity: | 2.18 |
| Flash point: | 178°C |
| Vapour pressure: | < 1 mm Hg at 20°C |
| Solubility: | 0.72 mg/litre water at 15°C |
| Use as flame retardant: | Intermediate for epoxy, unsaturated polyester and polycarbonate resins. ABS, phenolic resins. |
Pentabromotoluene (5BT)
| CAS registry number: | 87-83-2 |
| Chemical formula: | C7H3Br5 |
| Relative molecular mass: | - |
| Melting point: | 299°C |
| Flash point: | 280-282°F |
| Specific gravity: | 3.15 at 20°C |
| Solubility: | insoluble in water |
| Vapour pressure: | - |
| Use as flame retardant: | PE, PP, PS, unsaturated polyesters, SBR-latex, textiles, rubbers |
Tetrabromophtalic anhydride (TBPA)
| CAS registry number: | 632-79-1 |
| Chemical formula: | C8Br4O3 |
| Relative molecular mass: | - |
| Melting point: | 276-280°C |
| Flash point: | - |
| Specific gravity: | 2.87 |
| Solubility: | insoluble in water (<0.1) |
| Vapour pressure: | 14.67 |
| Use as flame retardant: | Reactive intermediate for polyols, esters, imides, paper, textiles, epoxides |
Decabromodiphenyl ether (DeBDE
| CAS registry number: | 1163-19-5 |
| Chemical formula: | C12Br10O |
| Relative molecular mass: | 959.22 |
| Melting point: | 290-306oC (295-310); 300-305oC |
| Boiling point: | 425oC (not applicable under standard conditions) |
| TGA (% wt. loss at oC): | 1% at 319, 5% at 353, 10% at 370, 50% at 414, 90% at 436 |
| Specific gravity: | 3.04 at 20 oC (23.25) |
| Vapour pressure, mm Hg: | 250 oC < 1, 278 oC 2.03, 306 oC 5.03 |
| Solubility at 25 oC: | water20-30 mg/litre |
| Use as flame retardant: | HIPS, Thermoplastic polyesters, PA, textiles |
Dibromopentyl glycol (DBNPG)
| CAS registry number: | 3296-90-0 |
| Chemical formula: | C5H10Br2O2 |
| Relative molecular mass: | 261.97 |
| Melting point: | 109-110°C (112°C) |
| Boiling point: | 134°C at 1 mm Hg |
| Flash point: | - |
| Specific gravity: | 2.23 (solid) |
| Solubility: | 20 g/l water at 25°C |
| Vapour pressure: | 10 mm Hg at 178°C; 25 mm Hg at 200°C |
| Use as flame retardant: | Unsaturated polyesters, rigid PUR foams, intermediates, elastomers |
Decabromobiphenyl (DeBB)
| CAS registry number: | 13654-09-6 |
| Chemical formula: | C12Br10 |
| Relative molecular mass: | 943.17 |
| Melting point: | 360-380°C |
| Flash point: | - |
| Density: | 3.2 g/cm3 |
| Solubility: | - |
| Vapour pressure: | - |
| Use as flame retardant: | ABS, polystyrene |
Hexabromocyclododecane (HBCD)
| CAS registry number: | 25637-99-4 or 3194-55-6 |
| Chemical formula: | C12H18Br6 |
| Relative molecular mass: | 641.77 |
| Melting point: | 170-180°C (decomposition > 200°C) |
| Flash point: | 162-171°C |
| Specific gravity: | 2.24 (2.38 at 20°C) |
| Solubility: | insoluble in water |
| Vapour pressure: | < 133 Pa at 20°C |
| Use as flame retardant | Expanded polystyrene, latex, textiles, coating, HIPS, unsaturated polyesters |
Pentabromodiphenyl ether (PeBDE)
| CAS registry number: | 32534-81-9 |
| Chemical formula: | C12H5Br5O |
| Relative molecular mass: | 564.75 |
| Melting point: | 202oC (estimated) |
| Flash point: | > 300 oC (decomposition starts above 200 oC) |
| Specific gravity: | 2.28 at 25 oC; 1.78 at 40 oC |
| Solubility: | Insoluble in water (9 x 10-7 mg/litre at 20 oC) |
| Vapour pressure: | 9.3 mm Hg at 22 oC (6.26-6.66) Torr at 25 oC) |
| Use as flame retardant: | Textiles, PUR |
N,N´-Ethylene bis(tetrabromophtalimide)
| CAS registry number: | 32588-76-4 |
| Chemical formula: | C18H4Br8N2O4 |
| Melting point: | 446 oC |
| Vapour pressure: | - |
| Solubility 25 oC in g/litre: | In water negligible |
| Specific gravity: | - |
| Use as flame retardant: | HIPS, PE, PP, thermoplastic polyesters, PA, rubbers, PC, ethylene copolymers, ionomer resins, textiles |
Tetradecabromodiphenoxy benzene
| CAS registry number: | 58965-66-5 |
| Chemical formula: | C18O2Br14 |
| Relative molecular mass: | 1366.9 |
| Melting point: | 382°C |
| Flash point: | - |
| Specific gravity: | 3.25 |
| Solubility: | <0.01 (25°C) |
| Vapour pressure: | - |
| Use as flame retardant: | Thermoplastic polyesters, PC, PA |
(Albemarle Corporation)
Brominated polyetherpoyol
| CAS registry number: | 68441-62-3 |
(Used for production in Denmark, but not included in the OECD or IPCS reports. No information on physical/chemical properties)
TBBPA carbonate oligomer (BC58)
| CAS registry number: | 71342-77-3 |
| Chemical formula: | ( C7H2 Br3O3) (C16H10Br4O3)x (C6H2Br3), x=3-5 |
| Relative molecular mass: | - |
| Melting point: | 230-260°C |
| Flash point: | - |
| Specific gravity: | 2.2 |
| Solubility: | negligible in water |
| Vapour pressure: | - |
| Use as flame retardant: | PE, PP, ABS, PA, polyesters, PC, epoxy resins, unsaturated and linear polyester, phenolic resins |
Brominated styrene
| CAS registry number: | 88497-56-7 |
| Chemical formula: | (C8H8-xBrx)n, x=2.7, n» 2000 |
| % Bromine: | 68.5 |
| Relative molecular mass: | - |
| Melting range: | - |
| Flash point: | - |
| Specific gravity: | 2.15 |
| Solubility: | insoluble |
| Vapour pressure: | - |
| Use as flame retardant: | - |
(Albemarle Corporation, 1997)
TBBPA carbonate oligomer (BC52)
3 kb
| CAS registry number: | 94334-64-2 |
| Chemical formula: | (C7H5O2) (C16H10Br4O3)x, x=3-5 |
| Relative molecular mass: | - |
| Melting point: | 210-230°C |
| Flash point: | - |
| Specific gravity: | 2.24 (2.38 at 20°C) |
| Solubility: | <0.1% in water at 25°C |
| Vapour pressure: | - |
| Use as flame retardant: | - |
Other brominated flame retardants in commercial use according to IPCS 1997
A few recently indtroduced compounds are added. For these the source of information is indicated in italic.
2,4,6 – Tribromophenol
| CAS registry number: | 118-79-6 |
| Chemical formula: | C6H3Br3O |
| Relative molecular mass: | 331 |
| Melting point: | 96°C |
| Boiling point: | 244°C |
| Specific gravity: | 2.55 at 20°C |
| Solubility: | approx. 0.07 g/l (water at 15°C) |
| Use as flame retardant: | Epoxy, phenolic and polyester resins, polyolefins |
Vinyl bromide (VBr)
| CAS registry number: | 593-60-2 |
| Chemical formula: | C2H3Br |
| Relative molecular mass: | 106.96 |
| Melting point: | 139.5°C |
| Boiling point: | 15.8°C |
| Flash point: | 13°C |
| Auto-ignition point: | 472°C |
| Vapour pressure: | 1.3447 at 25°C |
| Specific gravity (d 20/4): | 1.4933 |
| Solubility: | Insoluble in water |
| Stability: | Inflammable, polymerizes rapidly in light |
| Use as flame retardant: | Modacrylic fibers |
Pentabromophenol
| CAS registry number: | 608-71-9 |
| Use as flame retardant: | Epoxy, phenolic and polyester resins, polyolefins |
2,4 – Dibromophenol
| CAS registry number: | 615-58-7 |
| Use as flame retardant: | Epoxy, phenolic and polyester resins, polyolefins |
Tetrabromocyclooctane
| CAS registry number: | 3194-57-8 |
| Use as flame retardant: | Textiles, paints, EPS |
(Albemarle Corporation)
2,3-Dibromo-2-butene-1,4-diol
| CAS registry number: | 3234-02-4 |
| Use as flame retardant: | Intermediate for production of flame retardants |
Tribromophenyl allylether
| CAS registry number: | 3278-89-5 |
| Use as flame retardant: | Expanded polystyrene |
2,2-Bis(bromomethyl)-1,3-propanediol
| CAS registry number: | 3296-90-0 |
| Chemical formula: | C5H10Br2O2 |
| Use as flame retardant: | UP |
(Dead Sea Bromine Group)
1,2-Dibromo-4-(1,2 dibromomethyl) cyclohexane
| CAS registry number: | 3322-93-8 |
| Chemical formula: | C8H12Br4 |
| Melting point: | 70-75°C |
| Density: | 2.27 at 20°C |
| Solubility: | 0.05% in water at 20°C |
| Use as flame retardant: | Expanded polystyrene |
TBBPA bis (2-hydroxyethyl oxide)
| CAS registry number: | 4162-45-2 |
| Chemical formula: | C19H20Br4O4 |
| Melting point: | approximately 112°C |
| Specific gravity: | approximately 1.80 g/cm3 |
| Use as flame retardant: | Unsaturated and linear polyesters, epoxy resins, PUR |
TBPA diester/ether diol (TBPA Diol)
| CAS registry number: | 20566-35-2 |
| Chemical formula: | C15H16O7Br4 |
| Specific gravity: | 1.8 |
| Solubility: | <0.1 (25° C) |
| Use as flame retardant: | PVC, rubber, PUR, coatings, thermoplastics |
TBBPA bis(2,3-dibromopropyl ether)
| CAS registry number: | 21850-44-2 |
| Chemical formula: | C21H20Br8O2 |
| Melting point: | 90-100°C |
| Solubility: | 1 g/litre water at 25°C |
| Use as flame retardant: | Polyolefin resins |
TBBPA bis(allyl ether)
| CAS registry number: | 25327-89-3 |
| Chemical formula: | C21H20Br4O2 |
| Melting point: | 115-120°C |
| Specific gravity: | 1.8 g/cm3 |
| Solubility: | < 1 g/litre water at 25°C |
| Use as flame retardant: | EPS, polystyrene foam |
Tetrabromophthalic acid, Na salt
| CAS registry number: | 25357-79-3 |
| Chemical formula: | C8Br4O4Na2 |
| Use as flame retardant: | Reactive intermediate for polyols, esters, imides, paper textiles, opoxides. |
Polydibromostyrene
| CAS registry number: | 31780-26-4 |
| Use as flame retardant: | Styrenic polymers, engineering plastics |
Octabromodiphenyl ether (OcBDE)
| CAS registry number: | 32536-52-0 |
| Chemical formula: | C12H2OBr8 |
| Relative molecular mass: | 801.47 |
| Melting point: | 200 (167-257) oC |
| Vapour pressure: | 8.78-9.04 Torr at 25 oC |
| Solubility 25 oC in g/litre: | water < 1 |
| Specific gravity: | 2.76 (2.63) |
| Use as flame retardant: | ABS |
Tribromoneopentyl alcohol
| CAS registry number: | 36483-57-5 |
| Chemical formula: | C5H9Br3O |
| Relative molecular mass: | 324.92 |
| Melting point: | 62-67°C |
| Specific gravity: | 2.28 at 20°C |
| Solubility: | 2 g/litre water at 25°C |
| Use as flame retardant: | Rigid and flexible PUR foams. Intermediate for flame retardants |
1,2-Bis (2,4,6-tribromophenoxy)ethane
| CAS registry number: | 37853-59-1 |
| Chemical formula: | C14H8Br6O2 |
| Relative molecular mass: | 687.66 |
| Melting point: | 223-225°C |
| Specific gravity: | 2.58 g/cm3 |
| Solubility: | Insoluble in water (0.2 mg/litre at 20°C) |
| Use as flame retardant: | ABS, HIPS |
TBBPA dimethyl ethyl
| CAS registry number: | 37853-61-5 |
| Chemical formula: | C17H16Br4O2 |
| Use as flame retardant: | Expanded polystyrene |
Tetrabomobisphenol S
| CAS registry number: | 39635-79-5 |
| Use as flame retardant: | Intermediate for production of flame retardants |
Ethylene bis(5,6-dibromonorbonane-2,3-dicarboximide)
| CAS registry number: | 41291-34-3 and 52907-07-0 |
| Chemical formula: | C20H20Br4N2O4 |
| Melting point: | 294°C |
| Density: | 2.07 at 20°C |
| Solubility: | negligible in water |
| Use as flame retardant: | PP |
1,2,5-tris(2,3-dibromo-propoxy)-2,4,6-triazine
| CAS registry number: | 52434-59-0 |
| Use as flame retardant: | PP |
Poly-tribromostyrene (brominated polystyrene)
| CAS registry number: | 57137-10-7 |
| Use as flame retardant: | PE, epoxy and unsaturated polyester resins, PA, ABS |
(Poly)pentabromobenzyl acrylate
| CAS registry number: | 59447-55-1 (polymer) 59447-57-3 |
| Use as flame retardant: | PA, thermoplastic polyesters, ABS, PP, PS, PC |
Tribromophenyl maleimide
| CAS registry number: | 59789-51-4 |
| Chemical formula: | C10H4Br3NO2 |
| Use as flame retardant: | Styrene polymers and copolymers, including ABS, thermoset resins systems and polyolefin elastomers. |
(Dead Sea Bromine Group)
Decabromodiphenyl ethane
| CAS registry number: | 61262-53-1 |
| Use as flame retardant: | HIPS, ABS, PP, PA, polyester, cotton |
1,3-Butadiene homopolymer, brominated
| CAS registry number: | 68441-46-3 |
| Use as flame retardant: | Elastomers |
Poly(2,6-dibromophenylene oxide)
| CAS registry number: | 69882-11-7 |
| Chemical formula: | (C6H2Br2O)x |
| Melting point: | 210-240°C |
| Specific gravity: | 2.07 |
| Solubility: | 1.6 mg/litre (water at 25°C) |
| Use as flame retardant: | PA, thermoplastic polyesters, PS, PA, PC, ABS |
Brominated epoxy
| CAS registry number: | 68928-70-1 |
| Chemical formula: | (C21H20Br4O4 . C15H12Br4O2)x |
| Use as flame retardant: | HIPS, ABS |
(Dead Sea Bromine Group)
Brominated epoxy resin end-capped with tribromophenol
| Chemical formula: | (C21H20Br4O4× C15H12Br4O2)x × 2(C6H3Br3O) |
| CAS registry number: | 135229-48-0 |
| Use as flame retardant: | HIPS, ABS |
(Dead Sea Bromine Group)
Brominated trimethylphenylindane
| CAS registry number: | 155613-93-7 |
| Chemical formula: | C18H12Brn (n = 7-8) |
| Melting point: | 245°C |
| Use as flame retardant: | Styrenic and engineering thermoplastics |
(Dead Sea Bromine Group)
Dibromostyrene grafted
| CAS registry number: | 171091-06-8 |
| Use as flame retardant: | Polyolefins |
Modified epoxy resin
| CAS number | Not established |
| Chemical formula | (C21H20Br4O4·C15H12Br4O2·C6H3Br3O)x |
| Molecular weight | 1650-1750 |
(Dead Sea Bromine Group)
REFERENCES
| 1. | OECD, 1994. Risk Reduction monograph no. 3: Selected brominated flame retardants. OECD Environment Monograph Series no. 102, Paris. |
| 2. | IPCS. 1997. Flame retardants: A general introduction. Environmental Health Criteria 192. WHO, Geneva. |
| 3. | IPCS. 1995. Tetrabromobisphenol A and Derivatives introduction. Environmental Health Criteria 172. WHO, Geneva. |
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