Hexabromocyclododecane
Also known as Saytex hbcd, Pyrovatex 3887, Cyclododecane, hexabromo-
Key facts
What buyers check first
- Appearance
- White solid
- Melting point
- 185.9 °C
- Boiling point
- >190
- Density
- 2.2-2.4 g/cm³
- Solubility
- In water, 0.0656 mg/L at 20 °C /Technical product/
- HS code
- 290389
- Category
- Flame retardants
- UN number
- UN 3077
What is Hexabromocyclododecane?
Plain description, key identifiers and synonyms
Hexabromocyclododecane is a white powder. Insoluble in water. (NTP, 1992)
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1,3,5,7,9,11-hexabromocyclododecane
- CAS number
- 25637-99-4 CAS number cross-checkedOther or deprecated CAS: 1093632-34-8
- EC number
- 247-148-4
- Molecular formula
- C12H18Br6
- InChIKey
- LEOCKULGXOQRTQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H18Br6/c13-7-1-8(14)3-10(16)5-12(18)6-11(17)4-9(15)2-7/h7-12H,1-6H2
- SMILES (canonical and isomeric)
- C1C(CC(CC(CC(CC(CC1Br)Br)Br)Br)Br)Br
Synonyms
- Saytex hbcd
- Pyrovatex 3887
- Cyclododecane, hexabromo-
- HBCDD
- 1,3,5,7,9,11-hexabromocyclododecane
- Hexabromocyclododecane (Mixture of Diastereomers)
- Hexabromocyclododecane Solution in Acetone, 100ug/mL
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Appearance | White solidexp.Measured value |
|---|---|
| Odour | Odorlessexp.Measured value |
| Melting point | 185.9 °Cexp.Measured value |
| Boiling point | >190exp.Measured value |
| Density | 2.2-2.4 g/cm³exp.Measured value |
| Solubility | In water, 0.0656 mg/L at 20 °C /Technical product/exp.Measured value |
| Vapour pressure | 4.70 × 10⁻⁷ mm Hg at 21 °C /OECD Guideline 104 (Vapor Pressure Curve)/exp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 641.70 g/molcalc.Computed value |
|---|---|
| Exact mass | 635.6509 Dacalc.Computed value |
| LogP (octanol/water) | 6.92calc.Computed value |
| Topological polar surface area | 0 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 0calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 18calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 1calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Fails (2 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
C1CCCCCCCCCCC1
1 ring, 12 atoms, the Cyclododecane ring system.
189 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H361Suspected of damaging fertility or the unborn child.
- H362May cause harm to breast-fed children.
Precautionary statements (9)
- P203Obtain, read and follow all safety instructions before use.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P263Avoid contact during pregnancy and while nursing.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P318If exposed or concerned, get medical advice.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
- UN number
- UN 3077
- Transport hazard class
- 9
- Packing group
- III
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidHexabromocyclododecane suppliers
Controlled substance, listings of documented suppliers only, in the documented ranking
Hexabromocyclododecane is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Licensed buyers only, every enquiry is reviewed by our compliance team.
Reference: Stockholm Convention Annex A persistent organic pollutant
Our policy on controlled substancesLicensed buyers can post a request for Hexabromocyclododecane with their licence. Our compliance team reviews it before suppliers see it.
Hexabromocyclododecane price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Widely used brominated flame retardant.
Additive to expanded and extruded polystyrene foams for thermal insulation of buildings ... to a lesser extent to high-impact polystyrene used in enclosures for electronic equipment, such as televisions.
The use of HBCDD in polypropylene (PP), adhesives, latex binders and unsaturated polyester has been reported in the USA. ...The use of HBCDD in polypropylene (PP) is confirmed. HBCDD can be used in adhesives and coatings and in SAN resins (styrene-acrylonitrile copolymer). It may also be used in PVC (wires, cables and textile coatings).
HBCDD is used in several products, some of which are available to consumers.
Read more
Some examples of end-products containing HBCDD are: flat and pile upholstered furniture, upholstery seatings in transportation, draperies, and wall coverings, bed mattress ticking, interior textiles, automobile interior textiles, car cushions, insulation boards of transport vehicles, insulation boards in building constructions, parking decks, insulation boards against frost heaves of road and railway embankments, packaging material, electrical and electronic equipment, video cassette housings, polyvinyl chloride wire, cable and textile coating, protecting paints for military purposes.
Industries and functions
Functional uses
- Flame retardant
How it is made
An aliphatic, brominated cyclic alkane produced by bromination of cyclododecatri-1,5,9-ene
Technical grade HBCDD is generally produced from cis, trans, trans-1,5,9-cyclododecatriene (CDT), one of four CDT isomers, (CAS No. 27070-59-3). The reaction, trans-addition of bromine to the double bonds of CDT, results in the three diastereomers alpha-, beta- and gamma- HBCDD.
Produced by the addition reaction of bromine to trans, trans, cis-1,5,9-cyclododecatriene, the cyclic trimer of butadiene.
Read more
The hexabromocyclododecane that is obtained from this reaction consists of a mixture of stereoisomers of 1,2,5,6,9,10-hexabromocyclododecane ranging from oils to an isomer with a 205-208 °C melting point. Commercially available hexabromocyclododecane contains a mixture of solid isomers and has a melting point range of 170-180 °C (185-195 °C).
Regulatory status
Inventories, regulations and trade controls that list this substance
Hexabromocyclododecane is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Licensed buyers only, every enquiry is reviewed by our compliance team.
Reference: Stockholm Convention Annex A persistent organic pollutant
Our policy on controlled substancesEurope
- EU harmonised classification (CLP Annex VI)Index no: 602-109-00-4[1]
Health and food
- EU Cosmetics Regulation Annex II, prohibited in cosmeticsName: Hexabromocyclododecane [1], 1,2,5,6,9,10-Hexabromocyclododecane [2], Ref no: 1546, Annex ref: II/1546
Agriculture and environment
- Stockholm Convention persistent organic pollutant
United States
- TSCA inventory (USA)Status: Active in US commerce, Regulatory flags: Significant new use rule
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Hexabromocyclododecane is traded under.
Halogenated derivatives of cyclanic, cyclenic or cycloterpenic hydrocarbons, other
- China40.4%
- Japan26.5%
- United Kingdom7.2%
- South Korea19.2%
- Japan16.6%
- United States15.8%
The HS code shown for Hexabromocyclododecane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Hexabromocyclododecane, based on the data on this page
What is Hexabromocyclododecane?
What is Hexabromocyclododecane used for?
Is Hexabromocyclododecane hazardous?
Can I buy Hexabromocyclododecane on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Hexabromocyclododecane
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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