Hexabromocyclododecane

C₁₂H₁₈Br₆CAS 3194-55-6641.70 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₈Br₆
Molar mass: 641.70 g/mol
Exact mass: 635.6509 Da
Melting point: 185–195 °C
logP: 6.92Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H361 Suspected of damaging fertility or the unborn childReproductive toxicity
H362 May cause harm to breast-fed childrenReproductive toxicity, effects on or via lactation

Harmonised EU classification (CLP Annex VI, index 602-109-00-4[2]), via PubChem.

Precautionary statements

P203, P260, P263, P264, P270, P280, P318, P405, P501

Identifiers

CAS number

3194-55-6

SMILES

BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br

InChIKey

DEIGXXQKDWULML-UHFFFAOYSA-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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

Cyclododecane, 1,2,5,6,9,10-hexabromo-
1,2,5,6,9,10-Hexabromocyclododecane
Bromkal 73-6D
YM 88A
FR 1206HT
FR 1206
Pyroguard SR 104
SR 104

Work with Hexabromocyclododecane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Dibromocyclohexane5401-62-767 % similar trans-1,2-Dibromocyclohexane7429-37-067 % similar 1,2,3,4-Tetrabromobutane1529-68-643 % similar Rel-(2R,3R)-2,3-Dibromo-1,4-butanediol1947-58-640 % similar Bromocyclopropane4333-56-638 % similar 2-Norbornyl bromide29342-65-237 % similar Bromocyclopentane137-43-933 % similar 3,4-Dibromotetrahydrothiophene 1,1-dioxide15091-30-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Hexabromocyclododecane25637-99-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia