alpha-Hexabromocyclododecane
Also known as alpha-HBCD, Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2R,5S,6R,9R,10S)-rel-, (+-)-ALPHA-HBCD
Key facts
What buyers check first
- CAS number
- 134237-50-6
- Formula
- C12H18Br6
- Molar mass
- 641.70 g/mol
- EC number
- 603-801-9
- HS code
- 290389
- Category
- Flame retardants
What is alpha-Hexabromocyclododecane?
Plain description, key identifiers and synonyms
alpha-Hexabromocyclododecane is a chemical substance with the molecular formula C12H18Br6 and a molar mass of 641.70 g/mol. Its CAS registry number is 134237-50-6. The IUPAC name is (1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-hexabromocyclododecane.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-hexabromocyclododecane
- CAS number
- 134237-50-6 CAS number cross-checkedOther or deprecated CAS: 678970-15-5
- EC number
- 603-801-9
- Molecular formula
- C12H18Br6
- UNII
- 1Q53DD47II, A9X5ZAC15C
- InChIKey
- DEIGXXQKDWULML-PQTSNVLCSA-N
- 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/t7-,8-,9+,10+,11-,12-/m1/s1
- Canonical SMILES
- BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br
- Isomeric SMILES
- C1C[C@H]([C@H](CC[C@H]([C@@H](CC[C@@H]([C@@H]1Br)Br)Br)Br)Br)Br
Synonyms
- alpha-HBCD
- Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2R,5S,6R,9R,10S)-rel-
- (+-)-ALPHA-HBCD
- alpha-Hexabromocyclododecane, (+-)-
- (-)-alpha-Hbcd
- (-)-alpha-Hexabromocyclododecane
- alpha-Hexabromocyclododecane, (-)-
- (1R,2R,5S,6R,9R,10S)-rel-1,2,5,6,9,10-Hexabromocyclododecane
- (1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-Hexabromocyclododecane
- Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2R,5S,6R,9R,10S)-
- C12H18Br6
- (+/-)-alpha-HBCD
- Hexabromocyclododecane, alpha-
- (+/-)-alpha-Hexabromocyclododecane
- alpha-1,2,5,6,9,10-Hexabromocyclododecane
- alpha-hexabromocyclododecane, (+/-)-
- (+/-)-alpha-Hexabromocyclododecane, analytical standard
- rel-(1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-hexabromocyclododecane
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
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
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 | 6calc.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.
- H400Very toxic to aquatic life.
- H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (11)
- 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.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P318If exposed or concerned, get medical advice.
- P391Collect spillage.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
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 aidalpha-Hexabromocyclododecane suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Canada, GuelphUnclaimed profilealpha-HexabromocyclododecaneGrade, purity and minimum order on requestPrice on request
- France, Saint-Thibault-des-VignesUnclaimed profilealpha-HexabromocyclododecaneGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
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alpha-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
Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code alpha-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 alpha-Hexabromocyclododecane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about alpha-Hexabromocyclododecane, based on the data on this page
What is alpha-Hexabromocyclododecane?
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What is the molecular formula and weight of alpha-Hexabromocyclododecane?
Is alpha-Hexabromocyclododecane hazardous?
What is the HS code of alpha-Hexabromocyclododecane?
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Guides for buyers
Practical guides that help when you source, ship or handle alpha-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, 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
- Article, QualityWhat a certificate of analysis should containThe parts of a complete COA, how to read it against your specification, the warning signs of a weak or copied certificate and how to verify results.Read
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