1,2,5,6,9,10-Hexabromocyclododecane supplier

Name
1,2,5,6,9,10-Hexabromocyclododecane
EINECS 221-695-9
CAS No. 3194-55-6
Article Data14
CAS DataBase
Density 2.145 g/cm³
Solubility
Melting Point 188-191 °C
Formula C₁₂H₁₈Br₆
Boiling Point 505.2 °C at 760 mmHg
Molecular Weight 641.699
Flash Point 249.5 °C
Transport Information UN 3077
Appearance off-white to beige crystalline powder and chunks
Safety 22-24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Bromkal 73-6D;FR 1206;FR 1206HT;Pyroguard SR 104;SR 104;YM 88A;Hexabromocyclododecane(HBCD);
PSA 0.00000
LogP 6.92160

Synthetic route

: 706-31-0
(1E,5E,9Z)-cyclododeca-1,5,9-triene

: 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane

Conditions

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

: 4904-61-4
cyclododeca-1,5,9-triene

: 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane

Conditions

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;

: 676-22-2
(1E,5E,9E)-cyclododeca-1,5,9-triene

: 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane

Conditions

Conditions	Yield
With pyridinium perbromide hydrobromide In methanol

: 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane

: hydroxyhexabromocyclododecane

Conditions

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

: 22368-66-7
5,6-Dihydro-benzocycloocten

Conditions

Conditions	Yield
With potassium tert-butylate In diethylene glycol dimethyl ether

: 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane

: 257-24-9
heptalene

Conditions

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

: heptalene anion radical

Conditions

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

: di-trans-[12]annulene anion radical

Conditions

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

: 2,9-di-trans-[12]annulyne

Conditions

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

: C12H10(2-)*2Cs(1+)

Conditions

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℃;

: 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane

: C12H12(1-)*K(1+)

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium In tetrahydrofuran

: 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane

: 21657-72-7, 24844-26-6
trans-bicyclo<6.4.0>dodeca-2,4,6,9,11-pentaene

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at -80.15℃;

: 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane

A: (-)-(1R,2R,5R,6S,9R,10S)-1,2,5,6,9,10-hexabromocyclododecane

B: (+)-(1S,2S,5S,6R,9S,10R)-1,2,5,6,9,10-hexabromocyclododecane

Conditions

Conditions	Yield
preparative chiral-phase liquid chromatography;

1,2,5,6,9,10-Hexabromocyclododecane Chemical Properties

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

1,2,5,6,9,10-Hexabromocyclododecane 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.

1,2,5,6,9,10-Hexabromocyclododecane Safety Profile

Hazard Codes: Irritant 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

1,2,5,6,9,10-Hexabromocyclododecane 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.

Product Name

1,2,5,6,9,10-Hexabromocyclododecane

Synthetic route

1,2,5,6,9,10-Hexabromocyclododecane Chemical Properties

1,2,5,6,9,10-Hexabromocyclododecane Toxicity Data With Reference

1,2,5,6,9,10-Hexabromocyclododecane Safety Profile

1,2,5,6,9,10-Hexabromocyclododecane Specification

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