beta-Hexabromocyclododecane

Base Information

Chemical Name:beta-Hexabromocyclododecane
CAS No.:134237-51-7
Molecular Formula:C₁₂H₁₈Br₆
Molecular Weight:641.699
Hs Code.:
European Community (EC) Number:603-802-4
UNII:7Q48Q7B14M,169IC4T62F
DSSTox Substance ID:DTXSID201016676,DTXSID60873772
Nikkaji Number:J1.925.615D
Wikidata:Q81981250
Mol file:134237-51-7.mol

Synonyms:beta-Hexabromocyclododecane;134237-51-7;(-)-beta-Hbcd;(-)-beta-Hexabromocyclododecane;UNII-7Q48Q7B14M;7Q48Q7B14M;beta-Hexabromocyclododecane, (-)-;138257-18-8;169IC4T62F;Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5R,6R,9R,10S)-;(1r,2r,5s,6r,9s,10r)-1,2,5,6,9,10-hexabromocyclododecane;(1R,2S,5R,6R,9R,10S)-rel-1,2,5,6,9,10-Hexabromocyclododecane;beta-HBCD;UNII-169IC4T62F;.BETA.-HBCD;.BETA.-HBCD [MI];Hexabromocyclododecane, beta-;(-)-.BETA.-HBCD;DTXSID60873772;(+/-)-.BETA.-HBCD;DTXSID201016676;(+/-)-beta-Hexabromocyclododecane;.BETA.-HEXABROMOCYCLODODECANE;(-)-.BETA.-HEXABROMOCYCLODODECANE;.BETA.-HEXABROMOCYCLODODECANE, (-)-;beta-1,2,5,6,9,10-Hexabromocyclododecane;NS00077087;.BETA.-HEXABROMOCYCLODODECANE, (+/-)-;Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2R,5R,6S,9R,10S)-;CYCLODODECANE, 1,2,5,6,9,10-HEXABROMO-, (1R,2S,5R,6R,9R,10S)-REL-

Suppliers and Price of beta-Hexabromocyclododecane

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(1R,2S,5R,6R,9R,10S)-rel-1,2,5,6,9,10-Hexabromocyclododecane
5mg
$ 185.00

TRC
(1R,2S,5R,6R,9R,10S)-rel-1,2,5,6,9,10-Hexabromocyclododecane
50mg
$ 1455.00

Sigma-Aldrich
(±)-β-Hexabromocyclododecane analyticalstandard
25 mg
$ 300.00

Medical Isotopes, Inc.
(1R,2S,5R,6R,9R,10S)-rel-1,2,5,6,9,10-Hexabromocyclododecane
50 mg
$ 2200.00

Total 8 raw suppliers

Chemical Property of beta-Hexabromocyclododecane

Chemical Property:

Boiling Point:505.2±50.0 °C(Predicted)
PSA：0.00000
Density:2.145±0.06 g/cm3(Predicted)
LogP:6.92160
Storage Temp.:Amber Vial, -20°C Freezer, Under inert atmosphere
Solubility.:Chloroform (Slightly, Heated), DMSO (Slightly), Ethyl Acetate (Slightly)
XLogP3:7.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:641.64473
Heavy Atom Count:18
Complexity:175

Purity/Quality:

99.9% ^*data from raw suppliers

(1R,2S,5R,6R,9R,10S)-rel-1,2,5,6,9,10-Hexabromocyclododecane ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br
Isomeric SMILES:C1C[C@H]([C@H](CC[C@H]([C@H](CC[C@H]([C@@H]1Br)Br)Br)Br)Br)Br
Uses (1R,2S,5R,6R,9R,10S)-rel-1,2,5,6,9,10-Hexabromocyclododecane is an isomer component of commercially available Hexabromocyclododecane (H290740), a flame retardant used in foamed polystyrene.

Technology Process of beta-Hexabromocyclododecane

There total 1 articles about beta-Hexabromocyclododecane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 61.0%

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

: 3194-55-6,4736-49-6,65701-47-5,134237-50-6,134237-51-7,134237-52-8,138257-17-7,138257-18-8,138257-19-9
1,2,5,6,9,10-Hexabrom-cyclododecan

Guidance literature:: With bromine; In acetic acid; at 20 ℃; for 3h;

Reference yield:

: 3194-55-6,4736-49-6,65701-47-5,134237-50-6,134237-51-7,134237-52-8,138257-17-7,138257-18-8,138257-19-9
1,2,5,6,9,10-Hexabrom-cyclododecan

: 2765-29-9
cis,cis,trans-1,5,9-cyclododecatriene

Guidance literature:: Multi-step reaction with 2 steps

1: C₂H₅ONa / ethanol / 3 h / Heating

2: Na/NH₃(liqu.)

With ammonia; sodium ethanolate; sodium; In ethanol;