Products Categories
| CAS No.: | 3194-55-6 |
|---|---|
| Name: | 1,2,5,6,9,10-Hexabromocyclododecane |
| Molecular Structure: | |
|
|
|
| Formula: | C12H18Br6 |
| Molecular Weight: | 641.699 |
| Synonyms: | Bromkal 73-6D;FR 1206;FR 1206HT;Pyroguard SR 104;SR 104;YM 88A;Hexabromocyclododecane(HBCD); |
| EINECS: | 221-695-9 |
| Density: | 2.145 g/cm3 |
| Melting Point: | 188-191 °C |
| Boiling Point: | 505.2 °C at 760 mmHg |
| Flash Point: | 249.5 °C |
| Appearance: | off-white to beige crystalline powder and chunks |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| Transport Information: | UN 3077 |
| PSA: | 0.00000 |
| LogP: | 6.92160 |
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| Conditions | Yield |
|---|---|
| With sodium hypochlorite; hydrogen bromide; sodium sulfite In dichloromethane; cyclohexane; water at 0℃; for 0.0166667h; Flow reactor; | 97% |
| With pyridinium perbromide hydrobromide In methanol |
| Conditions | Yield |
|---|---|
| With bromine In dichloromethane; 2-methyl-propan-1-ol; chloroform at 14 - 15℃; pH=7; Large scale; | 96% |
| With bromine; sodium bromide In 2-methyl-propan-1-ol; chloroform; water at 10 - 15℃; for 4.5h; Solvent; Reagent/catalyst; Cooling with ice; | 94.9% |
| With hydrogen bromide; bromine In 2-ethoxy-ethanol at 50 - 90℃; for 17h; Temperature; | 92% |
| With 1-(-sulfonato)propyl-3-propanesulfonic acid imidazolium; hydrogen bromide; bromine In 2-ethoxy-ethanol at 50 - 90℃; for 8h; Temperature; | 90% |
| With bromine In 2-methyl-propan-1-ol; 1,2-dichloro-ethane at 30 - 50℃; for 5.25h; |
| Conditions | Yield |
|---|---|
| With pyridinium perbromide hydrobromide In methanol |
- 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane
| Conditions | Yield |
|---|---|
| With 5,10,15,20-tetraphenyl iron porphyrin In benzene at 25 - 30℃; for 24h; Temperature; Solvent; Reagent/catalyst; Inert atmosphere; | 40% |
- 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane
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| Conditions | Yield |
|---|---|
| With potassium tert-butylate In diethylene glycol dimethyl ether |
| Conditions | Yield |
|---|---|
| Stage #1: 1,2,5,6,9,10-hexabromocyclododecane With 18-crown-6 ether; potassium tert-butylate In tetrahydrofuran at -100℃; Stage #2: With potassium In tetrahydrofuran Stage #3: With iodine In tetrahydrofuran |
- 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane
| Conditions | Yield |
|---|---|
| Stage #1: 1,2,5,6,9,10-hexabromocyclododecane With 18-crown-6 ether; potassium tert-butylate In tetrahydrofuran at -100℃; Stage #2: With potassium In tetrahydrofuran |
- 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane
| Conditions | Yield |
|---|---|
| Stage #1: 1,2,5,6,9,10-hexabromocyclododecane With 18-crown-6 ether; potassium tert-butylate In tetrahydrofuran at -100℃; Stage #2: With potassium In tetrahydrofuran cooling; |
- 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane
| Conditions | Yield |
|---|---|
| Stage #1: 1,2,5,6,9,10-hexabromocyclododecane With potassium tert-butylate; dimethyl sulfoxide for 3h; Stage #2: With bromine In tetrachloromethane for 2h; UV-irradiation; Stage #3: With 18-crown-6 ether; potassium tert-butylate In tetrahydrofuran at -100.15℃; for 8h; |
- 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane
| Conditions | Yield |
|---|---|
| Stage #1: 1,2,5,6,9,10-hexabromocyclododecane With 18-crown-6 ether; potassium tert-butylate In tetrahydrofuran at -100.15℃; Stage #2: With o-chlorobenzylidene malononitrile In tetrahydrofuran at -100.15℃; |
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Chemistry
IUPAC Name: 1,2,5,6,9,10-Hexabromocyclododecane
Following is the structure of Cyclododecane,1,2,5,6,9,10-hexabromo- (CAS NO.3194-55-6):
Empirical Formula: C12H18Br6
Molecular Weight: 641.6953
Index of Refraction: 1.598
Molar Refractivity: 102.05 cm3
Molar Volume: 299 cm3
Density: 2.145 g/cm3
Flash Point: 249.5 °C
Melting point: 188-191 °C
Surface Tension: 47.7 dyne/cm
Enthalpy of Vaporization: 74.55 kJ/mol
Boiling Point: 505.2 °C at 760 mmHg
Vapour Pressure: 7.8E-10 mmHg at 25 °C
Appearance of Cyclododecane,1,2,5,6,9,10-hexabromo- (CAS NO.3194-55-6): off-white to beige crystalline powder and chunks
Product Categories of Cyclododecane,1,2,5,6,9,10-hexabromo- (CAS NO.3194-55-6): Organics; Alkyl; Halogenated Hydrocarbons; Organic Building Blocks
Canonical SMILES: C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br
InChI: InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2
InChIKey: DEIGXXQKDWULML-UHFFFAOYSA-N
Toxicity Data With Reference
Cyclododecane,1,2,5,6,9,10-hexabromo- (CAS NO.3194-55-6) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. You can see actual entry in RTECS for complete information.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
RIDADR: 3077
WGK Germany: 1
RTECS: GU2302500
F: 3-9
Specification
Cyclododecane,1,2,5,6,9,10-hexabromo- , its cas register number 3194-55-6. It also can be called 1,2,5,6,9,10-Hexabromocyclododecane ; Cyclododecane,1,2,5,6, 9,10-hexabromo- and Hexabromocyclododecane . Its classification code is TSCA Flag T [Subject to the Section 4 test rule under TSCA].
Cyclododecane,1,2,5,6,9,10-hexabromo- (CAS NO.3194-55-6) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials, strong oxidants. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen bromide. However, its hazardous polymerization has not been reported.