2,3,6,7,10,11-Hexabromotriphenylene

C₁₈H₆Br₆CAS 82632-80-2701.67 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₆Br₆
Molar mass: 701.67 g/mol
Exact mass: 695.5570 Da
logP: 9.72Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H400 Very toxic to aquatic life50% of notifiers
H410 Very toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

82632-80-2

SMILES

C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1Br)Br)Br)Br)Br)Br

InChIKey

GLHQUXLCQLQNPZ-UHFFFAOYSA-N

InChI

InChI=1S/C18H6Br6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6H

Weigh it out

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

Work with 2,3,6,7,10,11-Hexabromotriphenylene

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

1,2,4,5-Tetrabromobenzene636-28-267 % similar 6,12-Dibromochrysene131222-99-656 % similar 4,5-Dibromo-O-xylene24932-48-747 % similar 4,5-Dibromo-1,2-phenylenediamine49764-63-847 % similar 2,3,6,7,12,13-Hexabromotriptycene55805-81-747 % similar 1,2-Dibromo-4,5-difluorobenzene64695-78-947 % similar 1,3,6,8-Tetrabromopyrene128-63-244 % similar 2,3-Dibromonaphthalene13214-70-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook