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

• CAS: 3194-55-6
• Catalog Number: ACM3194556
• Category: Alkyl
• Molecular Weight: 641.7
• Molecular Formula: C12H18Br6
• Description: DryPowder; PelletsLargeCrystals
• Synonyms: Cyclododecane, 1,2,5,6,9,10-hexabromo-
• IUPAC Name: 1,2,5,6,9,10-hexabromocyclododecane
• 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
• InChI Key: DEIGXXQKDWULML-UHFFFAOYSA-N
• Melting Point: 188-191°C
• Solubility: 1.34e-08 M
• Application: Flame Retardant
• Complexity: 175
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 221-695-9
• Exact Mass: 641.6447
• Formal Charge: 0
• Hazard Statements: Xi,N,Xn
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 641.6447
• Notes: 1,2,5,6,9,10-Hexabromocyclododecane uses and applications include: Flame retardant for expandable PS, foamed PS, crystal and high-impact PS, SAN, wirecable, textiles, adhesives, coatings Suggested storage of 1,2,5,6,9,10-Hexabromocyclododecane: Hygroscopic; keep under nitrogen; store in a cool, dry place; keep container closed when not in use
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 0
• Safety Description: 22-24/25-61-60-36/37-53
• Stability: Stable under recommended storage conditions.
• Supplemental Hazard Statements: H361-H362-H410
• Symbol: GHS08,GHS09
• Topological Polar Surface Area: 0 Ų
• UNII: 66OON1WWOS
• Vapor Pressure: 4.70e-07 mmHg
• XLogP3: 7.1
• XLogP3-AA: 7.1

Custom Q&A

What is the molecular formula of 1,2,5,6,9,10-hexabromocyclododecane?

The molecular formula of 1,2,5,6,9,10-hexabromocyclododecane is C12H18Br6.

What is the molecular weight of 1,2,5,6,9,10-hexabromocyclododecane?

The molecular weight of 1,2,5,6,9,10-hexabromocyclododecane is 641.7 g/mol.

What are the synonyms of 1,2,5,6,9,10-hexabromocyclododecane?

The synonyms of 1,2,5,6,9,10-hexabromocyclododecane are HBCD, Cyclododecane, 1,2,5,6,9,10-hexabromo-.

What is the IUPAC name of 1,2,5,6,9,10-hexabromocyclododecane?

The IUPAC name of 1,2,5,6,9,10-hexabromocyclododecane is 1,2,5,6,9,10-hexabromocyclododecane.

What is the InChI key of 1,2,5,6,9,10-hexabromocyclododecane?

The InChI key of 1,2,5,6,9,10-hexabromocyclododecane is DEIGXXQKDWULML-UHFFFAOYSA-N.

What is the CAS number of 1,2,5,6,9,10-hexabromocyclododecane?

The CAS number of 1,2,5,6,9,10-hexabromocyclododecane is 3194-55-6.

What is the XLogP3-AA value of 1,2,5,6,9,10-hexabromocyclododecane?

The XLogP3-AA value of 1,2,5,6,9,10-hexabromocyclododecane is 7.1.

How many hydrogen bond donor counts does 1,2,5,6,9,10-hexabromocyclododecane have?

1,2,5,6,9,10-hexabromocyclododecane has 0 hydrogen bond donor counts.

What is the topological polar surface area (TPSA) of 1,2,5,6,9,10-hexabromocyclododecane?

The topological polar surface area (TPSA) of 1,2,5,6,9,10-hexabromocyclododecane is 0Ų.

How many rotatable bond counts does 1,2,5,6,9,10-hexabromocyclododecane have?

1,2,5,6,9,10-hexabromocyclododecane has 0 rotatable bond counts.