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| CAS No.: | 79-94-7 |
|---|---|
| Name: | Tetrabromobisphenol A |
| Molecular Structure: | |
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|
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| Formula: | C15H12Br4O2 |
| Molecular Weight: | 543.875 |
| Synonyms: | 2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane;2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane;2,2',6,6'-Tetrabromobisphenol A;3,5,3',5'-Tetrabromobisphenol A;4,4'-(1-Methylethylidene)bis[2,6-dibromophenol];BA 59;Bromdian;CP2000;FG 2000;FR 1524;Fire Guard 2000;Firemaster BP 4A;Flame Cut 120G;Flame Cut 120R;GLCBA 59P;NSC 59775;RB 100;Saytex RB100;Saytex RB 100PC;Tetrabromodian;Tetrabromodiphenylolpropane;Terabromobisphenol A(TBA); |
| EINECS: | 201-236-9 |
| Density: | 2.057 g/cm3 |
| Melting Point: | 178-181 °C(lit.) |
| Boiling Point: | 417.9 °C at 760 mmHg |
| Flash Point: | 206.6 °C |
| Solubility: | insoluble in water |
| Appearance: | white to pale cream or pale yellow crystalline |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 40.46000 |
| LogP: | 6.47370 |
| Conditions | Yield |
|---|---|
| With potassium tribromide In water; acetonitrile at 30℃; for 0.0833333h; | 99% |
| With hydrogenchloride; sodium bromate; sodium dodecyl-sulfate; sodium bromide In tetrachloromethane; water at 10℃; for 4.5h; | 98.28% |
| With dihydrogen peroxide; bromine In dichloromethane; water | 96% |
Tetrabromobisphenol A
| Conditions | Yield |
|---|---|
| In water at 30℃; for 12h; Purification / work up; |
Tetrabromobisphenol A
| Conditions | Yield |
|---|---|
| With sodium sulfite In water at 30℃; for 12h; Purification / work up; | |
| With hydrazine In water at 30℃; Purification / work up; | |
| With sulfur dioxide In water Purification / work up; | |
| In water Purification / work up; |
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone at 50 - 60℃; Inert atmosphere; | 96.2% |
| With potassium carbonate In N,N-dimethyl-formamide Schlenk technique; Inert atmosphere; Reflux; | 93.3% |
| With potassium carbonate In acetone Heating; | |
| With potassium carbonate In acetone at 50 - 60℃; |
| Conditions | Yield |
|---|---|
| With dmap; triethylamine In tetrahydrofuran | 96% |
Tetrabromobisphenol A
epichlorohydrin
2,2'-(4,4'-(propane-2,2-diyl)bis(2,6-dibromo-4,1-phenylene))-bis (oxy)bis(methylene)dioxirane
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; potassium hydroxide at 20℃; for 12h; | 95% |
| With sodium hydroxide In water at 58℃; under 180.018 Torr; for 9.5h; Temperature; Large scale; |
| Conditions | Yield |
|---|---|
| With hydrogen; triethylamine In methanol; water at 120℃; under 22502.3 Torr; for 116h; Autoclave; | 95% |
| With hydrogen; triethylamine In ethanol; water at 120℃; under 22502.3 Torr; for 116h; Autoclave; | 95% |
| With cadmium selenide; triethylamine In N,N-dimethyl-formamide at 20℃; for 24h; Irradiation; Sealed tube; | 87% |
| With sodium sulfite In water at 130℃; for 12h; Sealed tube; Microwave irradiation; Green chemistry; | 80% |
| Conditions | Yield |
|---|---|
| Stage #1: Tetrabromobisphenol A With magnesium In methanol; 1,2-dichloro-ethane at 40 - 50℃; for 1h; Inert atmosphere; Stage #2: phenylthiophosphonic acid dichloride In 1,2-dichloro-ethane at 70℃; for 4h; Solvent; Temperature; Reagent/catalyst; | 92.1% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide for 24h; Schlenk technique; Inert atmosphere; Reflux; | 90.5% |
diisopropyl hydrogenphosphonate
Tetrabromobisphenol A
diisopropyl 2-hydroxy-3-bromo-(2-(3-diisopropyl-phosphoryl-4-hydroxy-5-bromophenyl)propan-2-yl)phosphonate
| Conditions | Yield |
|---|---|
| With copper(l) iodide; caesium carbonate In toluene at 110℃; for 14h; Inert atmosphere; | 76% |
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IUPAC Name: 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
Empirical Formula: C15H12Br4O2
Molecular Weight: 543.8706g/mol
EINECS: 201-236-9
Structure of Phenol, 4,4'-(1-methylethylidene)bis(2,6-dibromo- (CAS NO.79-94-7):
Index of Refraction: 1.671
Molar Refractivity: 98.92 cm3
Molar Volume: 264.3 cm3
Polarizability: 39.21×10-24cm3
Surface Tension: 55.6 dyne/cm
Density: 2.057 g/cm3
Flash Point: 206.6 °C
Enthalpy of Vaporization: 69.74 kJ/mol
Melting Point: 178-181 °C(lit.)
Boiling Point: 417.9 °C at 760 mmHg
Vapour Pressure: 1.41E-07 mmHg at 25°C
Solubility: Insoluble
Product Categories: Organics;Bisphenol A type Compounds (for High-Performance Polymer Research);Color Former & Related Compounds;Developer;Functional Materials;Reagent for High-Performance Polymer Research
Canonical SMILES: CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br
InChI: InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
InChIKey: VEORPZCZECFIRK-UHFFFAOYSA-N
Phenol, 4,4'-(1-methylethylidene)bis(2,6-dibromo- is used as reactive flame retardant that can be used for epoxy, polyurethane resin, etc.
Phenol, 4,4'-(1-methylethylidene)bis(2,6-dibromo- is used as the flame retardants that can be used to add polystyrene, SAN resin and ABS resin, etc.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD | inhalation | > 500mg/m3/8H (500mg/m3) | National Technical Information Service. Vol. OTS0525426, | |
| mouse | LC | inhalation | > 500mg/m3/8H (500mg/m3) | National Technical Information Service. Vol. OTS0525426, | |
| rabbit | LD | skin | > 3160mg/kg (3160mg/kg) | National Technical Information Service. Vol. OTS0525426, | |
| rat | LC | inhalation | > 10920mg/m3/4 (10920mg/m3) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0525426 |
Reported in EPA TSCA Inventory.
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 3077 9/PG 3
WGK Germany: 1
RTECS: SM0894500
HazardClass: 9
PackingGroup: II
Hazardous Substances Data 79-94-7(Hazardous Substances Data)
Moderately toxic by inhalation and skin contact. Experimental reproductive effects. An eye irritant. When heated to decomposition it emits toxic vapors of Br-.
Phenol, 4,4'-(1-methylethylidene)bis(2,6-dibromo- , its cas register number is 79-94-7. It also can be called 2,2',6,6'-Tetrabromobisphenol A ; 2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane ; 3,3',5,5'-Tetrabromobisphenol A ; 3,5,3',5'-Tetrabromobisphenol A ; 4,4'-(1-Methylethylidene)bis(2,6-dibromophenol) ; 4,4'-Isopropylidenebis(2,6-dibromophenol) ;
Bromdian ; Firemaster BP 4A ; Great Lakes BA-59P ; HSDB 5232 ; NSC 59775 ; Phenol, 4,4'-(1-methylethylidene)bis(2,6-dibromo- ; Phenol, 4,4'-isopropylidenebis(2,6-dibromo- ; Saytex RB 100PC ; Tetrabromo-4,4'-isopropylidenediphenol ; Tetrabromobisphenol A ; Tetrabromodian ; Tetrabromodiphenylopropane . Phenol, 4,4'-(1-methylethylidene)bis(2,6-dibromo- (CAS NO.79-94-7) is white to pale cream or pale yellow crystalline.
